Isothiocyanates
Phenyl isothiocyanate, 98%
CAS: 103-72-0 Molecular Formula: C7H5NS Molecular Weight (g/mol): 135.18 MDL Number: MFCD00004798 InChI Key: QKFJKGMPGYROCL-UHFFFAOYSA-N Synonym: phenyl isothiocyanate,phenylisothiocyanate,thiocarbanil,phenyl mustard oil,benzene, isothiocyanato,pitc,isothiocyanic acid phenyl ester,benzene-1-isothiocyanate,phenylsenfoel,phenyl thioisocyanate PubChem CID: 7673 ChEBI: CHEBI:85103 IUPAC Name: isothiocyanatobenzene SMILES: S=C=NC1=CC=CC=C1
Allyl isothiocyanate, 94%, stab.
CAS: 57-06-7 Molecular Formula: C4H5NS Molecular Weight (g/mol): 99.151 MDL Number: MFCD00004822 InChI Key: ZOJBYZNEUISWFT-UHFFFAOYSA-N Synonym: allyl isothiocyanate,mustard oil,redskin,allylsenevol,allylsenfoel,allyl mustard oil,oleum sinapis,oil of mustard,allylsevenolum,senfoel PubChem CID: 5971 ChEBI: CHEBI:73224 IUPAC Name: 3-isothiocyanatoprop-1-ene SMILES: C=CCN=C=S
Benzyl isothiocyanate, 98%
CAS: 622-78-6 Molecular Formula: C8H7NS Molecular Weight (g/mol): 149.211 MDL Number: MFCD00004819 InChI Key: MDKCFLQDBWCQCV-UHFFFAOYSA-N Synonym: benzyl isothiocyanate,isothiocyanatomethyl benzene,benzyl mustard oil,benzylisothiocyanate,benzylsenfoel,tromacaps,tromalyt,urogran,isothiocyanic acid, benzyl ester,benzyl-isothiocyanate PubChem CID: 2346 ChEBI: CHEBI:17484 IUPAC Name: isothiocyanatomethylbenzene SMILES: C1=CC=C(C=C1)CN=C=S
tert-Butyl isothiocyanate, 97%
CAS: 590-42-1 Molecular Formula: C5H9NS Molecular Weight (g/mol): 115.19 MDL Number: MFCD00004816 InChI Key: ZFWFRTVIIMTOLY-UHFFFAOYSA-N Synonym: tert-butyl isothiocyanate,t-butyl isothiocyanate,propane, 2-isothiocyanato-2-methyl,tert-butylisothiocyanate,tert.-butyl isothiocyanate,2-isothiocyanato-2-methyl-propane,tert butyl isothiocyanate,tert-butyliso thiocyanate,butyl isothiocyanate, tert,t-butylisothiocyanate PubChem CID: 11544 IUPAC Name: 2-isothiocyanato-2-methylpropane SMILES: CC(C)(C)N=C=S
Isopropyl isothiocyanate, 97%
CAS: 2253-73-8 Molecular Formula: C4H7NS Molecular Weight (g/mol): 101.167 MDL Number: MFCD00037830 InChI Key: VHBFEIBMZHEWSX-UHFFFAOYSA-N Synonym: isopropyl isothiocyanate,isothiocyanic acid isopropyl ester,isopropylisothiocyanate,propane, 2-isothiocyanato,unii-46561pkp9t,isopropyl mustard oil,2-isothiocyanato-propane,propan-2-isothiocyanate,ipncs,isopropyl isothiocya PubChem CID: 75263 IUPAC Name: 2-isothiocyanatopropane SMILES: CC(C)N=C=S
2-Phenylethyl isothiocyanate, 98%
CAS: 2257-09-2 Molecular Formula: C9H9NS Molecular Weight (g/mol): 163.24 MDL Number: MFCD00004821 InChI Key: IZJDOKYDEWTZSO-UHFFFAOYSA-N Synonym: 2-phenylethyl isothiocyanate,phenethyl isothiocyanate,phenylethyl isothiocyanate,2-isothiocyanatoethyl benzene,phenethyl mustard oil,phenylaethylsenfoel,benzene, 2-isothiocyanatoethyl,peitc,phenylethyl mustard oil,2-phenylethylisothiocyanate PubChem CID: 16741 ChEBI: CHEBI:351346 IUPAC Name: 2-isothiocyanatoethylbenzene SMILES: C1=CC=C(C=C1)CCN=C=S
2,6-Dichlorophenyl isothiocyanate, 98+%
CAS: 6590-95-0 Molecular Formula: C7H3Cl2NS Molecular Weight (g/mol): 204.07 MDL Number: MFCD00041056 InChI Key: SUCGVQHNGIQXGD-UHFFFAOYSA-N Synonym: 2,6-dichlorophenyl isothiocyanate,2,6-dichlorophenylisothiocyanate,benzene, 1,3-dichloro-2-isothiocyanato,1,3-dichloro-2-isothiocyanato-benzene,benzene,1,3-dichloro-2-isothiocyanato,c7h3c12ns,2,6-dichlorobenzenisothiocyanate,2,6-dichlorophenyl-isothiocyanate,1,3-dichloro-2-thioisocyanato-benzene,2,6-dichloro-1-isothiocyanato-benzene PubChem CID: 123239 IUPAC Name: 1,3-dichloro-2-isothiocyanatobenzene SMILES: ClC1=CC=CC(Cl)=C1N=C=S
Ethyl 3-isothiocyanatopropionate, 97%
CAS: 17126-62-4 Molecular Formula: C6H9NO2S Molecular Weight (g/mol): 159.203 MDL Number: MFCD00041130 InChI Key: UPTRONYNXNYITM-UHFFFAOYSA-N Synonym: ethyl 3-isothiocyanatopropionate,3-isothiocyanato-propionic acid ethyl ester,acmc-1ca2j,ethyl-3-isothiocynato propionate,isothiocyanato-propionic acid ethyl ester,3-isothiocyanatopropionic acid ethyl ester,propanoic acid,3-isothiocyanato-,ethyl ester,propanoic acid,3-isothiocyanato-, ethyl ester PubChem CID: 526514 IUPAC Name: ethyl 3-isothiocyanatopropanoate SMILES: CCOC(=O)CCN=C=S
2-Chloro-4-nitrophenyl isothiocyanate, 97%
CAS: 23165-64-2 Molecular Formula: C7H3ClN2O2S Molecular Weight (g/mol): 214.62 MDL Number: MFCD00041244 InChI Key: JSYNALWWKRNZDX-UHFFFAOYSA-N Synonym: 2-chloro-4-nitrophenyl isothiocyanate,2-chloro-4-nitrophenylisothiocyanate,benzene,2-chloro-1-isothiocyanato-4-nitro,2-chloro-4-nitrobenzenisothiocyanate,acmc-1cg9c,2-chloranyl-1-isothiocyanato-4-nitro-benzene PubChem CID: 2757736 IUPAC Name: 2-chloro-1-isothiocyanato-4-nitrobenzene SMILES: [O-][N+](=O)C1=CC(Cl)=C(C=C1)N=C=S
Cyclohexylmethyl isothiocyanate, 97%
CAS: 52395-66-1 Molecular Formula: C8H13NS Molecular Weight (g/mol): 155.26 MDL Number: MFCD00040881 InChI Key: RYBJNWIQNLZNPE-UHFFFAOYSA-N Synonym: cyclohexanemethyl isothiocyanate,isothiocyanatomethyl cyclohexane,cyclohexylmethyl isothiocyanate,cyclohexylmethanisothiocyanate,cyclohexanemethylisothiocyanate,isothiocyanatomethyl cyclohexane # PubChem CID: 142928 IUPAC Name: isothiocyanatomethylcyclohexane SMILES: S=C=NCC1CCCCC1
Isobutyl isothiocyanate, 97%
CAS: 591-82-2 Molecular Formula: C5H9NS Molecular Weight (g/mol): 115.194 MDL Number: MFCD00022062 InChI Key: NSDDRJXKROCWRZ-UHFFFAOYSA-N Synonym: isobutyl isothiocyanate,i-butyl isothiocyanate,isobutylisothiocyanate,2-methylpropyl isothiocyanate,isothiocyanic acid, isobutyl ester,1-isothiocyanato-2-methyl-propane,unii-a498zc6z4f,isothiocyanic acid isobutyl ester,propane, 1-isothiocyanato-2-methyl,propane, 1-isothiocyanato-2-methyl-9ci PubChem CID: 68960 IUPAC Name: 1-isothiocyanato-2-methylpropane SMILES: CC(C)CN=C=S
4-chloro-3-nitrophenyl isothiocyanate, Thermo Scientific™
CAS: 127142-66-9 Molecular Formula: C7H3ClN2O2S Molecular Weight (g/mol): 214.623 InChI Key: ZXGZBHIDSJXKLE-UHFFFAOYSA-N Synonym: 4-chloro-3-nitrophenyl isothiocyanate,4-chloro-3-nitrophenylisothiocyanate,acmc-1c0qb,4-chloro-3-nitrobenzenisothiocyanate,#,benzene,1-chloro-4-isothiocyanato-2-nitro,1-chloranyl-4-isothiocyanato-2-nitro-benzene PubChem CID: 145581 IUPAC Name: 1-chloro-4-isothiocyanato-2-nitrobenzene SMILES: C1=CC(=C(C=C1N=C=S)[N+](=O)[O-])Cl
4-Ethoxyphenyl isothiocyanate 97%, Thermo Scientific™
CAS: 3460-49-9 Molecular Formula: C9H9NOS Molecular Weight (g/mol): 179.237 InChI Key: REEKOMRZYJXXNR-UHFFFAOYSA-N Synonym: 4-ethoxyphenyl isothiocyanate,4-isothiocyanatophenetol,p-ethoxyphenyl isothiocyanate,1-ethoxy-4-isothiocyanato-benzene,benzene, 1-ethoxy-4-isothiocyanato,4-ethoxyphenylisothiocyanate,4-ethoxybenzenisothiocyanate,acmc-20amjc,pubchem9560,p-ethoxyphenylisothiocyanate PubChem CID: 77006 IUPAC Name: 1-ethoxy-4-isothiocyanatobenzene SMILES: CCOC1=CC=C(C=C1)N=C=S
2,4-Dimethoxyphenyl isothiocyanate, 95%, Thermo Scientific™
CAS: 33904-03-9 Molecular Formula: C9H9NO2S Molecular Weight (g/mol): 195.24 InChI Key: CNXSCEPTSXPBTP-UHFFFAOYSA-N Synonym: 2,4-dimethoxyphenyl isothiocyanate,1-isothiocyanato-2,4-dimethoxy-benzene,2,4-dimethoxybenzenisothiocyanate,acmc-20aock,2,4-dimethoxyphenylisothiocyanate,1-isothiocyanato-2.4-dimethoxybenzene,isothiocyanic acid 2,4-dimethoxyphenyl ester PubChem CID: 2736202 IUPAC Name: 1-isothiocyanato-2,4-dimethoxybenzene SMILES: COC1=CC(=C(C=C1)N=C=S)OC
Allyl isothiocyanate, 94%, stabilized with 0.01% alpha-tocopherol
CAS: 57-06-7 MDL Number: MFCD00004822 InChI Key: ZOJBYZNEUISWFT-UHFFFAOYSA-N Synonym: allyl isothiocyanate,mustard oil,redskin,allylsenevol,allylsenfoel,allyl mustard oil,oleum sinapis,oil of mustard,allylsevenolum,senfoel PubChem CID: 5971 ChEBI: CHEBI:73224 IUPAC Name: 3-isothiocyanatoprop-1-ene SMILES: C=CCN=C=S