Organoheterocyclic compounds

Organic compounds that consist of ring structures, or cyclic compounds that have atoms of at least two different elements as members of its ring(s).

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2,491 – 2,505 of 197,115 results

2,491

5-Formyl-2,4-dimethylpyrrole-3-carboxylic acid, 96%

CAS: 253870-02-9 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD06202342 InChI Key: YCIHQDVIAISDPS-UHFFFAOYSA-N Synonym: 5-formyl-2,4-dimethylpyrrole-3-carboxylic acid,2,4-dimethyl-5-formylpyrrole-3-carboxylic acid,3,5-dimethyl-2-formylpyrrole-4-carboxylic acid,1h-pyrrole-3-carboxylic acid, 5-formyl-2,4-dimethyl,5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylicacid,3,5-dimethyl-2-formyl-1h-pyrrole-4-carboxylic acid,3,5-dimethyl-2-formylindole-4-carboxylic acid,zlchem 714,pubchem9414,acmc-209zxq PubChem CID: 11073792 IUPAC Name: 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid SMILES: CC1=C(NC(=C1C(=O)O)C)C=O

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Specifications

PubChem CID	11073792
CAS	253870-02-9
Molecular Weight (g/mol)	167.164
MDL Number	MFCD06202342
SMILES	CC1=C(NC(=C1C(=O)O)C)C=O
Synonym	5-formyl-2,4-dimethylpyrrole-3-carboxylic acid,2,4-dimethyl-5-formylpyrrole-3-carboxylic acid,3,5-dimethyl-2-formylpyrrole-4-carboxylic acid,1h-pyrrole-3-carboxylic acid, 5-formyl-2,4-dimethyl,5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylicacid,3,5-dimethyl-2-formyl-1h-pyrrole-4-carboxylic acid,3,5-dimethyl-2-formylindole-4-carboxylic acid,zlchem 714,pubchem9414,acmc-209zxq
IUPAC Name	5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
InChI Key	YCIHQDVIAISDPS-UHFFFAOYSA-N
Molecular Formula	C8H9NO3

2,492

2,5-Dimethylpyrrole-3-carboxylic acid, 97%

CAS: 57338-76-8 Molecular Formula: C7H9NO2 Molecular Weight (g/mol): 139.154 MDL Number: MFCD00203874 InChI Key: VDVWTJFVFQVCFN-UHFFFAOYSA-N Synonym: 2,5-dimethylpyrrole-3-carboxylic acid,1h-pyrrole-3-carboxylic acid, 2,5-dimethyl,2,5-dimethyl-4-carboxypyrrole,1h-pyrrole-3-carboxylicacid, 2,5-dimethyl PubChem CID: 292957 IUPAC Name: 2,5-dimethyl-1H-pyrrole-3-carboxylic acid SMILES: CC1=CC(=C(N1)C)C(=O)O

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Specifications

PubChem CID	292957
CAS	57338-76-8
Molecular Weight (g/mol)	139.154
MDL Number	MFCD00203874
SMILES	CC1=CC(=C(N1)C)C(=O)O
Synonym	2,5-dimethylpyrrole-3-carboxylic acid,1h-pyrrole-3-carboxylic acid, 2,5-dimethyl,2,5-dimethyl-4-carboxypyrrole,1h-pyrrole-3-carboxylicacid, 2,5-dimethyl
IUPAC Name	2,5-dimethyl-1H-pyrrole-3-carboxylic acid
InChI Key	VDVWTJFVFQVCFN-UHFFFAOYSA-N
Molecular Formula	C7H9NO2

2,493

[3-(1H-Pyrrol-1-yl)phenyl]methanol, 97%, Thermo Scientific™

CAS: 83140-94-7 Molecular Formula: C11H11NO Molecular Weight (g/mol): 173.215 MDL Number: MFCD03086142 InChI Key: QQXDXYAGEXWXQU-UHFFFAOYSA-N Synonym: 3-1h-pyrrol-1-yl phenyl methanol,3-pyrrol-1-yl phenyl methanol,3-1-pyrrolyl benzyl alcohol,3-pyrrol-1-ylphenyl methanol,3-pyrrolylphenyl methan-1-ol,3-pyrrol-1-yl phenylmethanol,3-1h-pyrrol-1-yl phenylmethanol,benzenemethanol, 3-1h-pyrrol-1-yl PubChem CID: 2776531 IUPAC Name: (3-pyrrol-1-ylphenyl)methanol SMILES: C1=CN(C=C1)C2=CC=CC(=C2)CO

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Specifications

PubChem CID	2776531
CAS	83140-94-7
Molecular Weight (g/mol)	173.215
MDL Number	MFCD03086142
SMILES	C1=CN(C=C1)C2=CC=CC(=C2)CO
Synonym	3-1h-pyrrol-1-yl phenyl methanol,3-pyrrol-1-yl phenyl methanol,3-1-pyrrolyl benzyl alcohol,3-pyrrol-1-ylphenyl methanol,3-pyrrolylphenyl methan-1-ol,3-pyrrol-1-yl phenylmethanol,3-1h-pyrrol-1-yl phenylmethanol,benzenemethanol, 3-1h-pyrrol-1-yl
IUPAC Name	(3-pyrrol-1-ylphenyl)methanol
InChI Key	QQXDXYAGEXWXQU-UHFFFAOYSA-N
Molecular Formula	C11H11NO

2,494

Thermo Scientific Chemicals Atorvastatin calcium trihydrate

CAS: 344423-98-9 Molecular Formula: C66H74CaF2N4O13 Molecular Weight (g/mol): 1209.41 InChI Key: SHZPNDRIDUBNMH-NIJVSVLQSA-L IUPAC Name: calcium bis((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate) trihydrate SMILES: O.O.O.[Ca++].CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1.CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1

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Specifications

CAS	344423-98-9
Molecular Weight (g/mol)	1209.41
SMILES	O.O.O.[Ca++].CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1.CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1
IUPAC Name	calcium bis((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate) trihydrate
InChI Key	SHZPNDRIDUBNMH-NIJVSVLQSA-L
Molecular Formula	C66H74CaF2N4O13

2,495

Ethyl 4-phenylpyrrole-3-carboxylate, 97%

CAS: 64276-62-6 Molecular Formula: C13H13NO2 Molecular Weight (g/mol): 215.252 MDL Number: MFCD03931521 InChI Key: VNZGRYAVCWGZCT-UHFFFAOYSA-N Synonym: ethyl 4-phenylpyrrole-3-carboxylate,4-phenyl-1h-pyrrole-3-carboxylic acid ethyl ester,4-phenylpyrrole-3-carboxylic acid ethyl ester,acmc-20akyb,3-carboethoxy-4-phenylpyrrole,3-carbethoxy-4-phenylpyrrole,ethyl4-phenyl-1h-pyrrole-3-carboxylate,1h-pyrrole-3-carboxylicacid, 4-phenyl-, ethyl ester PubChem CID: 4154165 IUPAC Name: ethyl 4-phenyl-1H-pyrrole-3-carboxylate SMILES: CCOC(=O)C1=CNC=C1C2=CC=CC=C2

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Specifications

PubChem CID	4154165
CAS	64276-62-6
Molecular Weight (g/mol)	215.252
MDL Number	MFCD03931521
SMILES	CCOC(=O)C1=CNC=C1C2=CC=CC=C2
Synonym	ethyl 4-phenylpyrrole-3-carboxylate,4-phenyl-1h-pyrrole-3-carboxylic acid ethyl ester,4-phenylpyrrole-3-carboxylic acid ethyl ester,acmc-20akyb,3-carboethoxy-4-phenylpyrrole,3-carbethoxy-4-phenylpyrrole,ethyl4-phenyl-1h-pyrrole-3-carboxylate,1h-pyrrole-3-carboxylicacid, 4-phenyl-, ethyl ester
IUPAC Name	ethyl 4-phenyl-1H-pyrrole-3-carboxylate
InChI Key	VNZGRYAVCWGZCT-UHFFFAOYSA-N
Molecular Formula	C13H13NO2

2,496

4-(1H-Pyrrol-1-yl)benzonitrile, 97%, Thermo Scientific™

CAS: 23351-07-7 Molecular Formula: C11H8N2 Molecular Weight (g/mol): 168.20 MDL Number: MFCD00085164 InChI Key: OKVSZRKKRHNDOL-UHFFFAOYSA-N Synonym: 4-1h-pyrrol-1-yl benzonitrile,1-4-cyanophenyl pyrrole,n-4-cyanophenyl pyrrole,benzonitrile, 4-pyrrol-1-yl,4-1-pyrrolyl benzonitrile,4-pyrrol-1-yl benzonitrile,4-pyrrolylbenzenecarbonitrile,acmc-1cekp,maybridge1_001756,1-4-cyanophenyl-pyrrole PubChem CID: 272424 SMILES: N#CC1=CC=C(C=C1)N1C=CC=C1

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Specifications

PubChem CID	272424
CAS	23351-07-7
Molecular Weight (g/mol)	168.20
MDL Number	MFCD00085164
SMILES	N#CC1=CC=C(C=C1)N1C=CC=C1
Synonym	4-1h-pyrrol-1-yl benzonitrile,1-4-cyanophenyl pyrrole,n-4-cyanophenyl pyrrole,benzonitrile, 4-pyrrol-1-yl,4-1-pyrrolyl benzonitrile,4-pyrrol-1-yl benzonitrile,4-pyrrolylbenzenecarbonitrile,acmc-1cekp,maybridge1_001756,1-4-cyanophenyl-pyrrole
InChI Key	OKVSZRKKRHNDOL-UHFFFAOYSA-N
Molecular Formula	C11H8N2

2,497

1-(4-Iodophenyl)pyrrole, 97%

CAS: 92636-36-7 Molecular Formula: C10H8IN Molecular Weight (g/mol): 269.085 MDL Number: MFCD00052399 InChI Key: FMURNAZHVQDQQN-UHFFFAOYSA-N Synonym: 1-4-iodophenyl pyrrole,1-4-iodophenyl-1h-pyrrole,acmc-20apaj,4-iodophenyl pyrrole,maybridge1_002926,1-4-iodo-phenyl-1h-pyrrole,1h-pyrrole,1-4-iodophenyl,1-4-iodophenyl-1h-pyrrole # PubChem CID: 272430 IUPAC Name: 1-(4-iodophenyl)pyrrole SMILES: C1=CN(C=C1)C2=CC=C(C=C2)I

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Specifications

PubChem CID	272430
CAS	92636-36-7
Molecular Weight (g/mol)	269.085
MDL Number	MFCD00052399
SMILES	C1=CN(C=C1)C2=CC=C(C=C2)I
Synonym	1-4-iodophenyl pyrrole,1-4-iodophenyl-1h-pyrrole,acmc-20apaj,4-iodophenyl pyrrole,maybridge1_002926,1-4-iodo-phenyl-1h-pyrrole,1h-pyrrole,1-4-iodophenyl,1-4-iodophenyl-1h-pyrrole #
IUPAC Name	1-(4-iodophenyl)pyrrole
InChI Key	FMURNAZHVQDQQN-UHFFFAOYSA-N
Molecular Formula	C10H8IN

2,498

5-Bromo-1-methyl-1H-indole-3-carboxylic acid, 97%

CAS: 400071-95-6 Molecular Formula: C₁₀H₈BrNO₂ Molecular Weight (g/mol): 254.08 MDL Number: MFCD14706162 InChI Key: WQZLFFJMRKTCMU-UHFFFAOYSA-N Synonym: 5-bromo-1-methyl-1h-indole-3-carboxylic acid,5-bromo-1-methyl-1h-indole-3-carboxylicacid,1h-indole-3-carboxylic acid, 5-bromo-1-methyl,ksc230c9b,5-bromo-1-methyl-1h-indole-3-carboxylic acid; PubChem CID: 11032413 IUPAC Name: 5-bromo-1-methylindole-3-carboxylic acid SMILES: CN1C=C(C2=C1C=CC(=C2)Br)C(=O)O

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Specifications

PubChem CID	11032413
CAS	400071-95-6
Molecular Weight (g/mol)	254.08
MDL Number	MFCD14706162
SMILES	CN1C=C(C2=C1C=CC(=C2)Br)C(=O)O
Synonym	5-bromo-1-methyl-1h-indole-3-carboxylic acid,5-bromo-1-methyl-1h-indole-3-carboxylicacid,1h-indole-3-carboxylic acid, 5-bromo-1-methyl,ksc230c9b,5-bromo-1-methyl-1h-indole-3-carboxylic acid;
IUPAC Name	5-bromo-1-methylindole-3-carboxylic acid
InChI Key	WQZLFFJMRKTCMU-UHFFFAOYSA-N
Molecular Formula	C₁₀H₈BrNO₂

2,499

Indole-3-carboxylic acid, 99%

CAS: 771-50-6 Molecular Formula: C₉H₇NO₂ Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005624 InChI Key: KMAKOBLIOCQGJP-UHFFFAOYSA-N Synonym: indole-3-carboxylic acid,3-indoleformic acid,3-carboxyindole,indole-3-carboxylicacid,3-indolecarboxylic acid,indole-3-carboxylate,3-indolylcarboxylic acid,beta-indolylcarboxylic acid,indole-3 carboxylic acid,ico PubChem CID: 69867 ChEBI: CHEBI:24809 IUPAC Name: 1H-indole-3-carboxylic acid SMILES: C1=CC=C2C(=C1)C(=CN2)C(=O)O

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Specifications

PubChem CID	69867
CAS	771-50-6
Molecular Weight (g/mol)	161.16
ChEBI	CHEBI:24809
MDL Number	MFCD00005624
SMILES	C1=CC=C2C(=C1)C(=CN2)C(=O)O
Synonym	indole-3-carboxylic acid,3-indoleformic acid,3-carboxyindole,indole-3-carboxylicacid,3-indolecarboxylic acid,indole-3-carboxylate,3-indolylcarboxylic acid,beta-indolylcarboxylic acid,indole-3 carboxylic acid,ico
IUPAC Name	1H-indole-3-carboxylic acid
InChI Key	KMAKOBLIOCQGJP-UHFFFAOYSA-N
Molecular Formula	C₉H₇NO₂

2,500

1-Aminopyrrole, Thermo Scientific Chemicals

CAS: 765-39-9 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.11 InChI Key: YNZAFFFENDLJQG-UHFFFAOYSA-N IUPAC Name: 1H-pyrrol-1-amine SMILES: NN1C=CC=C1

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Specifications

CAS	765-39-9
Molecular Weight (g/mol)	82.11
SMILES	NN1C=CC=C1
IUPAC Name	1H-pyrrol-1-amine
InChI Key	YNZAFFFENDLJQG-UHFFFAOYSA-N
Molecular Formula	C4H6N2

2,501

[4-(1H-Pyrrol-1-yl)phenyl]methanol, 97%, Thermo Scientific™

CAS: 143426-51-1 Molecular Formula: C11H11NO Molecular Weight (g/mol): 173.215 MDL Number: MFCD03659708 InChI Key: LQQQPLUFBVYLRE-UHFFFAOYSA-N Synonym: 4-1h-pyrrol-1-yl phenyl methanol,1-4-hydroxymethylphenyl pyrrole,4-1h-pyrrol-1-yl benzyl alcohol,4-pyrrol-1-yl phenyl methanol,benzenemethanol,4-1h-pyrrol-1-yl,4-pyrrolylphenyl methan-1-ol,4-1h-pyrrol-1-yl benzylalcohol,pubchem11303,4-pyrrol-1-ylphenyl methanol PubChem CID: 599478 IUPAC Name: (4-pyrrol-1-ylphenyl)methanol SMILES: C1=CN(C=C1)C2=CC=C(C=C2)CO

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Specifications

PubChem CID	599478
CAS	143426-51-1
Molecular Weight (g/mol)	173.215
MDL Number	MFCD03659708
SMILES	C1=CN(C=C1)C2=CC=C(C=C2)CO
Synonym	4-1h-pyrrol-1-yl phenyl methanol,1-4-hydroxymethylphenyl pyrrole,4-1h-pyrrol-1-yl benzyl alcohol,4-pyrrol-1-yl phenyl methanol,benzenemethanol,4-1h-pyrrol-1-yl,4-pyrrolylphenyl methan-1-ol,4-1h-pyrrol-1-yl benzylalcohol,pubchem11303,4-pyrrol-1-ylphenyl methanol
IUPAC Name	(4-pyrrol-1-ylphenyl)methanol
InChI Key	LQQQPLUFBVYLRE-UHFFFAOYSA-N
Molecular Formula	C11H11NO

2,502

1-(2-Aminophenyl)pyrrole, 98+%

CAS: 6025-60-1 Molecular Formula: C10H10N2 Molecular Weight (g/mol): 158.204 MDL Number: MFCD00005344 InChI Key: GDMZHPUPLWQIBD-UHFFFAOYSA-N Synonym: 1-2-aminophenyl pyrrole,2-1h-pyrrol-1-yl aniline,n-2-aminophenyl pyrrole,2-1h-pyrrol-1-yl phenyl amine,1-2-aminophenyl-1h-pyrrole,2-1-pyrrolyl aniline,benzenamine, 2-1h-pyrrol-1-yl,2-pyrrolylphenylamine,2-pyrrol-1-yl aniline,acmc-20apd3 PubChem CID: 80123 IUPAC Name: 2-pyrrol-1-ylaniline SMILES: C1=CC=C(C(=C1)N)N2C=CC=C2

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Specifications

PubChem CID	80123
CAS	6025-60-1
Molecular Weight (g/mol)	158.204
MDL Number	MFCD00005344
SMILES	C1=CC=C(C(=C1)N)N2C=CC=C2
Synonym	1-2-aminophenyl pyrrole,2-1h-pyrrol-1-yl aniline,n-2-aminophenyl pyrrole,2-1h-pyrrol-1-yl phenyl amine,1-2-aminophenyl-1h-pyrrole,2-1-pyrrolyl aniline,benzenamine, 2-1h-pyrrol-1-yl,2-pyrrolylphenylamine,2-pyrrol-1-yl aniline,acmc-20apd3
IUPAC Name	2-pyrrol-1-ylaniline
InChI Key	GDMZHPUPLWQIBD-UHFFFAOYSA-N
Molecular Formula	C10H10N2

2,503

7-Azaindole-3-carboxylic acid, 95%

CAS: 156270-06-3 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.148 MDL Number: MFCD07778360 InChI Key: KYBIRFFGAIFLPM-UHFFFAOYSA-N Synonym: 1h-pyrrolo 2,3-b pyridine-3-carboxylic acid,7-azaindole-3-carboxylic acid,1h-pyrrolo 2,3-b pyridine-3-carboxylicacid,pubchem20644,acmc-209zs1,ksc173s3p,7-azaindole-3-carboxylic ...,methyl 7-azaindole-3-carboxylic acid PubChem CID: 10154191 IUPAC Name: 1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid SMILES: C1=CC2=C(NC=C2C(=O)O)N=C1

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Specifications

PubChem CID	10154191
CAS	156270-06-3
Molecular Weight (g/mol)	162.148
MDL Number	MFCD07778360
SMILES	C1=CC2=C(NC=C2C(=O)O)N=C1
Synonym	1h-pyrrolo 2,3-b pyridine-3-carboxylic acid,7-azaindole-3-carboxylic acid,1h-pyrrolo 2,3-b pyridine-3-carboxylicacid,pubchem20644,acmc-209zs1,ksc173s3p,7-azaindole-3-carboxylic ...,methyl 7-azaindole-3-carboxylic acid
IUPAC Name	1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
InChI Key	KYBIRFFGAIFLPM-UHFFFAOYSA-N
Molecular Formula	C8H6N2O2

2,504

4-(2,5-Dimethyl-1-pyrrolyl)benzonitrile, 98%

CAS: 119516-86-8 Molecular Formula: C13H12N2 Molecular Weight (g/mol): 196.253 InChI Key: FNDFKQYZEDOHRC-UHFFFAOYSA-N Synonym: 1-4-cyanophenyl-2,5-dimethylpyrrole,4-2,5-dimethylpyrrol-1-yl benzonitrile,4-2,5-dimethyl-1h-pyrrol-1-yl benzonitrile,2,5-dimethyl-1-4-cyanophenyl pyrrole,n-4'-cyanophenyl-2,5-dimethylpyrrole,4-2,5-dimethyl-1-pyrrolyl benzonitrile,benzonitrile,4-2,5-dimethyl-1h-pyrrol-1-yl PubChem CID: 3787857 IUPAC Name: 4-(2,5-dimethylpyrrol-1-yl)benzonitrile SMILES: CC1=CC=C(N1C2=CC=C(C=C2)C#N)C

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Specifications

PubChem CID	3787857
CAS	119516-86-8
Molecular Weight (g/mol)	196.253
SMILES	CC1=CC=C(N1C2=CC=C(C=C2)C#N)C
Synonym	1-4-cyanophenyl-2,5-dimethylpyrrole,4-2,5-dimethylpyrrol-1-yl benzonitrile,4-2,5-dimethyl-1h-pyrrol-1-yl benzonitrile,2,5-dimethyl-1-4-cyanophenyl pyrrole,n-4'-cyanophenyl-2,5-dimethylpyrrole,4-2,5-dimethyl-1-pyrrolyl benzonitrile,benzonitrile,4-2,5-dimethyl-1h-pyrrol-1-yl
IUPAC Name	4-(2,5-dimethylpyrrol-1-yl)benzonitrile
InChI Key	FNDFKQYZEDOHRC-UHFFFAOYSA-N
Molecular Formula	C13H12N2

2,505

s-Trithiane 97%

CAS: 291-21-4 Molecular Formula: C3H6S3 Molecular Weight (g/mol): 138.261 MDL Number: MFCD00006653 InChI Key: LORRLQMLLQLPSJ-UHFFFAOYSA-N Synonym: s-trithiane,trithioformaldehyde,sym-trithian,thioform,trimethylene trisulfide,1,3,5-trithiacyclohexane,trimethylentrisulfid,sym-trithiane,formaldehyde, thio-, trimer,thioform czech PubChem CID: 9264 ChEBI: CHEBI:39196 IUPAC Name: 1,3,5-trithiane SMILES: C1SCSCS1

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Specifications

PubChem CID	9264
CAS	291-21-4
Molecular Weight (g/mol)	138.261
ChEBI	CHEBI:39196
MDL Number	MFCD00006653
SMILES	C1SCSCS1
Synonym	s-trithiane,trithioformaldehyde,sym-trithian,thioform,trimethylene trisulfide,1,3,5-trithiacyclohexane,trimethylentrisulfid,sym-trithiane,formaldehyde, thio-, trimer,thioform czech
IUPAC Name	1,3,5-trithiane
InChI Key	LORRLQMLLQLPSJ-UHFFFAOYSA-N
Molecular Formula	C3H6S3

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