Organoheterocyclic compounds
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Isobutylene oxide, 98%
CAS: 558-30-5 Molecular Formula: C4H8O Molecular Weight (g/mol): 72.11 MDL Number: MFCD00066354 InChI Key: GELKGHVAFRCJNA-UHFFFAOYSA-N Synonym: isobutylene oxide,1,2-epoxy-2-methylpropane,isobutene oxide,isobutylene epoxide,isobutyleneoxide,oxirane, 2,2-dimethyl,1,2-epoxyisobutane,1,1-dimethylethylene oxide,1,2-isobutylene oxide,2-methyl-1-propene oxide PubChem CID: 11208 IUPAC Name: 2,2-dimethyloxirane SMILES: CC1(CO1)C
| PubChem CID | 11208 |
|---|---|
| CAS | 558-30-5 |
| Molecular Weight (g/mol) | 72.11 |
| MDL Number | MFCD00066354 |
| SMILES | CC1(CO1)C |
| Synonym | isobutylene oxide,1,2-epoxy-2-methylpropane,isobutene oxide,isobutylene epoxide,isobutyleneoxide,oxirane, 2,2-dimethyl,1,2-epoxyisobutane,1,1-dimethylethylene oxide,1,2-isobutylene oxide,2-methyl-1-propene oxide |
| IUPAC Name | 2,2-dimethyloxirane |
| InChI Key | GELKGHVAFRCJNA-UHFFFAOYSA-N |
| Molecular Formula | C4H8O |
1,2-Epoxydecane, 97%
CAS: 2404-44-6 Molecular Formula: C10H20O Molecular Weight (g/mol): 156.27 MDL Number: MFCD00005158 InChI Key: AAMHBRRZYSORSH-UHFFFAOYNA-N Synonym: 1,2-epoxydecane,oxirane, octyl,octyloxirane,oxirane, 2-octyl,1,2-decylene oxide,ccris 2615,epoxides, c>8-alkyl,decene oxide,epoxy decane,oxirane,octyl PubChem CID: 16993 IUPAC Name: 2-octyloxirane SMILES: CCCCCCCCC1CO1
| PubChem CID | 16993 |
|---|---|
| CAS | 2404-44-6 |
| Molecular Weight (g/mol) | 156.27 |
| MDL Number | MFCD00005158 |
| SMILES | CCCCCCCCC1CO1 |
| Synonym | 1,2-epoxydecane,oxirane, octyl,octyloxirane,oxirane, 2-octyl,1,2-decylene oxide,ccris 2615,epoxides, c>8-alkyl,decene oxide,epoxy decane,oxirane,octyl |
| IUPAC Name | 2-octyloxirane |
| InChI Key | AAMHBRRZYSORSH-UHFFFAOYNA-N |
| Molecular Formula | C10H20O |
(R)-(+)-Styrene oxide, 98%
CAS: 20780-53-4 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.15 MDL Number: MFCD00066210 InChI Key: AWMVMTVKBNGEAK-QMMMGPOBSA-N Synonym: r-styrene oxide,r-phenyloxirane,r-+-styrene oxide,r-2-phenyloxirane,2r-2-phenyloxirane,r-epoxyethyl benzene,oxirane, phenyl-, 2r,benzene, epoxyethyl-, r PubChem CID: 114705 ChEBI: CHEBI:45389 IUPAC Name: (2R)-2-phenyloxirane SMILES: C1O[C@@H]1C1=CC=CC=C1
| PubChem CID | 114705 |
|---|---|
| CAS | 20780-53-4 |
| Molecular Weight (g/mol) | 120.15 |
| ChEBI | CHEBI:45389 |
| MDL Number | MFCD00066210 |
| SMILES | C1O[C@@H]1C1=CC=CC=C1 |
| Synonym | r-styrene oxide,r-phenyloxirane,r-+-styrene oxide,r-2-phenyloxirane,2r-2-phenyloxirane,r-epoxyethyl benzene,oxirane, phenyl-, 2r,benzene, epoxyethyl-, r |
| IUPAC Name | (2R)-2-phenyloxirane |
| InChI Key | AWMVMTVKBNGEAK-QMMMGPOBSA-N |
| Molecular Formula | C8H8O |
(S)-(+)-Epichlorohydrin, 98+%
CAS: 67843-74-7 Molecular Formula: C3H5ClO Molecular Weight (g/mol): 92.52 MDL Number: MFCD00077760 InChI Key: BRLQWZUYTZBJKN-GSVOUGTGSA-N Synonym: s-+-epichlorohydrin,s-epichlorohydrin,2s-2-chloromethyl oxirane,s-chloromethyl oxirane,s-3-chloropropylene oxide,s-2-chloromethyl oxirane,epichlorohydrin, +,unii-scr89b4r6o,ccris 6388 PubChem CID: 149428 ChEBI: CHEBI:37145 IUPAC Name: (2S)-2-(chloromethyl)oxirane SMILES: ClC[C@@H]1CO1
| PubChem CID | 149428 |
|---|---|
| CAS | 67843-74-7 |
| Molecular Weight (g/mol) | 92.52 |
| ChEBI | CHEBI:37145 |
| MDL Number | MFCD00077760 |
| SMILES | ClC[C@@H]1CO1 |
| Synonym | s-+-epichlorohydrin,s-epichlorohydrin,2s-2-chloromethyl oxirane,s-chloromethyl oxirane,s-3-chloropropylene oxide,s-2-chloromethyl oxirane,epichlorohydrin, +,unii-scr89b4r6o,ccris 6388 |
| IUPAC Name | (2S)-2-(chloromethyl)oxirane |
| InChI Key | BRLQWZUYTZBJKN-GSVOUGTGSA-N |
| Molecular Formula | C3H5ClO |
2-(Chloromethyl)-2-methyloxirane, 97%, Thermo Scientific™
CAS: 598-09-4 Molecular Formula: C4H7ClO Molecular Weight (g/mol): 106.549 MDL Number: MFCD00052487 InChI Key: VVHFXJOCUKBZFS-UHFFFAOYSA-N Synonym: 2-chloromethyl-2-methyloxirane,oxirane, 2-chloromethyl-2-methyl,2-chloromethyl-2-methyl-oxirane,2-chloromethyl-1,2-epoxypropane,methyl epichlorohydrin,2-methylepichlorohydrin,acmc-209mfx,beta-methylepichlorohydrin,ksc493o4b PubChem CID: 95220 IUPAC Name: 2-(chloromethyl)-2-methyloxirane SMILES: CC1(CO1)CCl
| PubChem CID | 95220 |
|---|---|
| CAS | 598-09-4 |
| Molecular Weight (g/mol) | 106.549 |
| MDL Number | MFCD00052487 |
| SMILES | CC1(CO1)CCl |
| Synonym | 2-chloromethyl-2-methyloxirane,oxirane, 2-chloromethyl-2-methyl,2-chloromethyl-2-methyl-oxirane,2-chloromethyl-1,2-epoxypropane,methyl epichlorohydrin,2-methylepichlorohydrin,acmc-209mfx,beta-methylepichlorohydrin,ksc493o4b |
| IUPAC Name | 2-(chloromethyl)-2-methyloxirane |
| InChI Key | VVHFXJOCUKBZFS-UHFFFAOYSA-N |
| Molecular Formula | C4H7ClO |
1,2-Epoxy-3-methylbutane, 98+%
CAS: 1438-14-8 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.134 MDL Number: MFCD02683501 InChI Key: REYZXWIIUPKFTI-UHFFFAOYSA-N Synonym: 2-isopropyloxirane,1,2-epoxy-3-methylbutane,isopropyloxirane,oxirane, 1-methylethyl,butane, 1,2-epoxy-3-methyl,2-propan-2-yl oxirane,oxirane,2-1-methylethyl,1-methylethyl-oxirane,isopropylethylene oxide,acmc-1asns PubChem CID: 102618 IUPAC Name: 2-propan-2-yloxirane SMILES: CC(C)C1CO1
| PubChem CID | 102618 |
|---|---|
| CAS | 1438-14-8 |
| Molecular Weight (g/mol) | 86.134 |
| MDL Number | MFCD02683501 |
| SMILES | CC(C)C1CO1 |
| Synonym | 2-isopropyloxirane,1,2-epoxy-3-methylbutane,isopropyloxirane,oxirane, 1-methylethyl,butane, 1,2-epoxy-3-methyl,2-propan-2-yl oxirane,oxirane,2-1-methylethyl,1-methylethyl-oxirane,isopropylethylene oxide,acmc-1asns |
| IUPAC Name | 2-propan-2-yloxirane |
| InChI Key | REYZXWIIUPKFTI-UHFFFAOYSA-N |
| Molecular Formula | C5H10O |
erythro-N-Boc-3,5-difluoro-L-phenylalanine epoxide, 95%, Thermo Scientific Chemicals
CAS: 388071-27-0 Molecular Formula: C15H19F2NO3 Molecular Weight (g/mol): 299.32 MDL Number: MFCD08061630 InChI Key: NKGKCDXMOMAORK-UHFFFAOYNA-N Synonym: erythro-n-boc-l-3,5-difluorophenylalanine epoxide,tert-butyl s-2-3,5-difluorophenyl-1-s-oxiran-2-yl ethyl carbamate,tert-butyl n-1s-2-3,5-difluorophenyl-1-2s-oxiran-2-yl ethyl carbamate,erythro-n-boc-3,5-difluoro-l-phenylalanine epoxide,tert-butyl 1s-2-3,5-difluorophenyl-1-2s-oxiranyl ethylcarbamate,tert-butyl s-2-3,5-difluorophenyl-1-s-oxiran-2-yl ethylcarbamate,tert-butyl 1s-2-3,5-difluorophenyl-1-2s-oxiran-2-yl ethylcarbamate,tert-butyl 1s-2-3,5-difluorophenyl-1-2s-oxiran-2-yl ethyl carbamate PubChem CID: 9922319 IUPAC Name: tert-butyl N-[(1S)-2-(3,5-difluorophenyl)-1-[(2S)-oxiran-2-yl]ethyl]carbamate SMILES: CC(C)(C)OC(=O)NC(CC1=CC(F)=CC(F)=C1)C1CO1
| PubChem CID | 9922319 |
|---|---|
| CAS | 388071-27-0 |
| Molecular Weight (g/mol) | 299.32 |
| MDL Number | MFCD08061630 |
| SMILES | CC(C)(C)OC(=O)NC(CC1=CC(F)=CC(F)=C1)C1CO1 |
| Synonym | erythro-n-boc-l-3,5-difluorophenylalanine epoxide,tert-butyl s-2-3,5-difluorophenyl-1-s-oxiran-2-yl ethyl carbamate,tert-butyl n-1s-2-3,5-difluorophenyl-1-2s-oxiran-2-yl ethyl carbamate,erythro-n-boc-3,5-difluoro-l-phenylalanine epoxide,tert-butyl 1s-2-3,5-difluorophenyl-1-2s-oxiranyl ethylcarbamate,tert-butyl s-2-3,5-difluorophenyl-1-s-oxiran-2-yl ethylcarbamate,tert-butyl 1s-2-3,5-difluorophenyl-1-2s-oxiran-2-yl ethylcarbamate,tert-butyl 1s-2-3,5-difluorophenyl-1-2s-oxiran-2-yl ethyl carbamate |
| IUPAC Name | tert-butyl N-[(1S)-2-(3,5-difluorophenyl)-1-[(2S)-oxiran-2-yl]ethyl]carbamate |
| InChI Key | NKGKCDXMOMAORK-UHFFFAOYNA-N |
| Molecular Formula | C15H19F2NO3 |
trans-Stilbene oxide, 99%, Thermo Scientific Chemicals
CAS: 1439-07-2 Molecular Formula: C14H12O Molecular Weight (g/mol): 196.25 MDL Number: MFCD00064311 InChI Key: ARCJQKUWGAZPFX-KWCCSABGSA-N Synonym: trans-stilbene oxide,3r-2,3-diphenyloxirane,2r-2alpha,3-diphenyloxirane PubChem CID: 5742860 IUPAC Name: (3R)-2,3-diphenyloxirane SMILES: C1=CC=C(C=C1)C2C(O2)C3=CC=CC=C3
| PubChem CID | 5742860 |
|---|---|
| CAS | 1439-07-2 |
| Molecular Weight (g/mol) | 196.25 |
| MDL Number | MFCD00064311 |
| SMILES | C1=CC=C(C=C1)C2C(O2)C3=CC=CC=C3 |
| Synonym | trans-stilbene oxide,3r-2,3-diphenyloxirane,2r-2alpha,3-diphenyloxirane |
| IUPAC Name | (3R)-2,3-diphenyloxirane |
| InChI Key | ARCJQKUWGAZPFX-KWCCSABGSA-N |
| Molecular Formula | C14H12O |
(2S,3S)-3-(N-BOC-amino)-1-oxirane-4-phenylbutane, 98%
CAS: 98737-29-2 Molecular Formula: C15H21NO3 Molecular Weight (g/mol): 263.34 MDL Number: MFCD02258997 InChI Key: NVPOUMXZERMIJK-QWHCGFSZSA-N Synonym: 2s,3s-1,2-epoxy-3-boc-amino-4-phenylbutane,2s,3s-n-t-boc-3-amino-1,2-epoxy-4-phenylbutane,tert-butyl s-1-s-oxiran-2-yl-2-phenylethyl carbamate,2s,3s-1,2-epoxy-3-tert-butoxycarbonylamino-4-phenylbutane,tert-butyl n-1s-1-2s-oxiran-2-yl-2-phenylethyl carbamate,tert-butyl s-r*,r*---1-oxiranyl-2-phenylethyl carbamate,tert-butyl n-1s-1-2s-oxiran-2-yl-2-phenyl-ethyl carbamate,2s,3s---3-t-boc-amino-1,2-epoxy-4-phenylbutane,ksc523o6b PubChem CID: 9903372 IUPAC Name: tert-butyl N-[(1S)-1-[(2S)-oxiran-2-yl]-2-phenylethyl]carbamate SMILES: CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C2CO2
| PubChem CID | 9903372 |
|---|---|
| CAS | 98737-29-2 |
| Molecular Weight (g/mol) | 263.34 |
| MDL Number | MFCD02258997 |
| SMILES | CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C2CO2 |
| Synonym | 2s,3s-1,2-epoxy-3-boc-amino-4-phenylbutane,2s,3s-n-t-boc-3-amino-1,2-epoxy-4-phenylbutane,tert-butyl s-1-s-oxiran-2-yl-2-phenylethyl carbamate,2s,3s-1,2-epoxy-3-tert-butoxycarbonylamino-4-phenylbutane,tert-butyl n-1s-1-2s-oxiran-2-yl-2-phenylethyl carbamate,tert-butyl s-r*,r*---1-oxiranyl-2-phenylethyl carbamate,tert-butyl n-1s-1-2s-oxiran-2-yl-2-phenyl-ethyl carbamate,2s,3s---3-t-boc-amino-1,2-epoxy-4-phenylbutane,ksc523o6b |
| IUPAC Name | tert-butyl N-[(1S)-1-[(2S)-oxiran-2-yl]-2-phenylethyl]carbamate |
| InChI Key | NVPOUMXZERMIJK-QWHCGFSZSA-N |
| Molecular Formula | C15H21NO3 |
2-Mercaptothiazoline, 98%
CAS: 96-53-7 Molecular Formula: C3H5NS2 Molecular Weight (g/mol): 119.21 MDL Number: MFCD00126013 InChI Key: WGJCBBASTRWVJL-UHFFFAOYSA-N Synonym: 2-mercaptothiazoline,2-thiazolidinethione,2-thiazoline-2-thiol,thiazolidine-2-thione,metabasal,thyroidan,2-mercapto-2-thiazoline,mercaptothiazoline,2-thiothiazolidone,2-thiazolidenethione PubChem CID: 2723699 IUPAC Name: 1,3-thiazolidine-2-thione SMILES: C1CSC(=S)N1
| PubChem CID | 2723699 |
|---|---|
| CAS | 96-53-7 |
| Molecular Weight (g/mol) | 119.21 |
| MDL Number | MFCD00126013 |
| SMILES | C1CSC(=S)N1 |
| Synonym | 2-mercaptothiazoline,2-thiazolidinethione,2-thiazoline-2-thiol,thiazolidine-2-thione,metabasal,thyroidan,2-mercapto-2-thiazoline,mercaptothiazoline,2-thiothiazolidone,2-thiazolidenethione |
| IUPAC Name | 1,3-thiazolidine-2-thione |
| InChI Key | WGJCBBASTRWVJL-UHFFFAOYSA-N |
| Molecular Formula | C3H5NS2 |
1,3-Dimethyl-2-imidazolidinone, 98%
CAS: 80-73-9 Molecular Formula: C5H10N2O Molecular Weight (g/mol): 114.15 MDL Number: MFCD00003188 InChI Key: CYSGHNMQYZDMIA-UHFFFAOYSA-N Synonym: 1,3-dimethyl-2-imidazolidinone,n,n'-dimethylethyleneurea,dimethyl imidazolidinone,n,n'-dimethylimidazolidinone,1,3-dimethylimidazolidone,rhonite 1,dmeu,karbomos tsem,2-imidazolidinone, 1,3-dimethyl,1,3-dimethylethyleneurea PubChem CID: 6661 IUPAC Name: 1,3-dimethylimidazolidin-2-one SMILES: CN1CCN(C)C1=O
| PubChem CID | 6661 |
|---|---|
| CAS | 80-73-9 |
| Molecular Weight (g/mol) | 114.15 |
| MDL Number | MFCD00003188 |
| SMILES | CN1CCN(C)C1=O |
| Synonym | 1,3-dimethyl-2-imidazolidinone,n,n'-dimethylethyleneurea,dimethyl imidazolidinone,n,n'-dimethylimidazolidinone,1,3-dimethylimidazolidone,rhonite 1,dmeu,karbomos tsem,2-imidazolidinone, 1,3-dimethyl,1,3-dimethylethyleneurea |
| IUPAC Name | 1,3-dimethylimidazolidin-2-one |
| InChI Key | CYSGHNMQYZDMIA-UHFFFAOYSA-N |
| Molecular Formula | C5H10N2O |
Rhodanine-3-acetic acid, 98%
CAS: 5718-83-2 Molecular Formula: C5H5NO3S2 Molecular Weight (g/mol): 191.22 MDL Number: MFCD00005491 InChI Key: JGRMXPSUZIYDRR-UHFFFAOYSA-N Synonym: rhodanine-3-acetic acid,rhodanine-n-acetic acid,n-carboxymethylrhodanine,3-rhodanineacetic acid,3-thiazolidineacetic acid, 4-oxo-2-thioxo,3-carboxymethyl rhodanine,n-carboxymethyl rhodanine,2-4-oxo-2-thioxothiazolidin-3-yl acetic acid,4-oxo-2-thioxo-3-thiazolidineacetic acid,4-oxo-2-thioxo-3-thiazolidinylacetic acid PubChem CID: 79793 IUPAC Name: 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid SMILES: OC(=O)CN1C(=O)CSC1=S
| PubChem CID | 79793 |
|---|---|
| CAS | 5718-83-2 |
| Molecular Weight (g/mol) | 191.22 |
| MDL Number | MFCD00005491 |
| SMILES | OC(=O)CN1C(=O)CSC1=S |
| Synonym | rhodanine-3-acetic acid,rhodanine-n-acetic acid,n-carboxymethylrhodanine,3-rhodanineacetic acid,3-thiazolidineacetic acid, 4-oxo-2-thioxo,3-carboxymethyl rhodanine,n-carboxymethyl rhodanine,2-4-oxo-2-thioxothiazolidin-3-yl acetic acid,4-oxo-2-thioxo-3-thiazolidineacetic acid,4-oxo-2-thioxo-3-thiazolidinylacetic acid |
| IUPAC Name | 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid |
| InChI Key | JGRMXPSUZIYDRR-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO3S2 |
1,3-bis(2,4,6-trimethylphenyl)imidazolidinium chloride, 97%
CAS: 173035-10-4 Molecular Formula: C21H27ClN2 Molecular Weight (g/mol): 342.91 MDL Number: MFCD09039279 InChI Key: COGMCBFILULEOS-UHFFFAOYSA-M Synonym: 1,3-dimesitylimidazolidine hydrochloride,1,3-bis 2,4,6-trimethylphenyl-imidazolidinium-chloride,1,3-dimesitylimidazolidine, chloride salt,1,3-bis-2,4,6-trimethyl-phenyl-imidazolidin-1-ium chloride,1,3-bis 2,4,6-trimethylphenyl imidazolidine hydrochloride IUPAC Name: 1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydro-3H-1λ⁵-imidazol-1-ylium chloride SMILES: [Cl-].CC1=CC(C)=C(N2CC[N+](=C2)C2=C(C)C=C(C)C=C2C)C(C)=C1
| CAS | 173035-10-4 |
|---|---|
| Molecular Weight (g/mol) | 342.91 |
| MDL Number | MFCD09039279 |
| SMILES | [Cl-].CC1=CC(C)=C(N2CC[N+](=C2)C2=C(C)C=C(C)C=C2C)C(C)=C1 |
| Synonym | 1,3-dimesitylimidazolidine hydrochloride,1,3-bis 2,4,6-trimethylphenyl-imidazolidinium-chloride,1,3-dimesitylimidazolidine, chloride salt,1,3-bis-2,4,6-trimethyl-phenyl-imidazolidin-1-ium chloride,1,3-bis 2,4,6-trimethylphenyl imidazolidine hydrochloride |
| IUPAC Name | 1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydro-3H-1λ⁵-imidazol-1-ylium chloride |
| InChI Key | COGMCBFILULEOS-UHFFFAOYSA-M |
| Molecular Formula | C21H27ClN2 |
Bathophenanthroline, 98+%
CAS: 1662-01-7 Molecular Formula: C24H16N2 Molecular Weight (g/mol): 332.406 MDL Number: MFCD00004976 InChI Key: DHDHJYNTEFLIHY-UHFFFAOYSA-N Synonym: bathophenanthroline,1,10-phenanthroline, 4,7-diphenyl,bphen,1,10-bathophenanthroline,bathophenanthrolin,bathophenanthrolin german,unii-4a2b091f0g,4,7-diphenyl-1,10-diazaphenanthrene,gnf-pf-4554,4,7-diphenylpyridino 3,2-h quinoline PubChem CID: 72812 ChEBI: CHEBI:77995 IUPAC Name: 4,7-diphenyl-1,10-phenanthroline SMILES: C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5
| PubChem CID | 72812 |
|---|---|
| CAS | 1662-01-7 |
| Molecular Weight (g/mol) | 332.406 |
| ChEBI | CHEBI:77995 |
| MDL Number | MFCD00004976 |
| SMILES | C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5 |
| Synonym | bathophenanthroline,1,10-phenanthroline, 4,7-diphenyl,bphen,1,10-bathophenanthroline,bathophenanthrolin,bathophenanthrolin german,unii-4a2b091f0g,4,7-diphenyl-1,10-diazaphenanthrene,gnf-pf-4554,4,7-diphenylpyridino 3,2-h quinoline |
| IUPAC Name | 4,7-diphenyl-1,10-phenanthroline |
| InChI Key | DHDHJYNTEFLIHY-UHFFFAOYSA-N |
| Molecular Formula | C24H16N2 |
1,10-Phenanthroline, Monohydrate, ACS, Spectrum™ Chemical
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CAS: 5144-89-8
| CAS | 5144-89-8 |
|---|