Isothiocyanates

Phenyl isothiocyanate, 98%, ACROS Organics™

CAS: 103-72-0 Molecular Formula: C7H5NS Molecular Weight (g/mol): 135.19 InChI Key: QKFJKGMPGYROCL-UHFFFAOYSA-N Synonym: benzene, isothiocyanato PubChem CID: 7673 ChEBI: CHEBI:85103 IUPAC Name: isothiocyanatobenzene SMILES: C1=CC=C(C=C1)N=C=S

4-Methoxybenzylisothiocyanate 95%, ACROS Organics™

CAS: 3694-57-3 Molecular Formula: C9H9NOS Molecular Weight (g/mol): 179.24 MDL Number: MFCD00041117 InChI Key: IMFQYAJJXFXVMM-UHFFFAOYSA-N Synonym: 1-isothiocyanatomethyl-4-methoxy-benzene PubChem CID: 123197 IUPAC Name: 1-(isothiocyanatomethyl)-4-methoxybenzene SMILES: COC1=CC=C(C=C1)CN=C=S

Alfa Aesar™ 3-Cyanophenyl isothiocyanate, 97%

CAS: 3125-78-8 Molecular Formula: C8H4N2S Molecular Weight (g/mol): 160.194 MDL Number: MFCD00041070 InChI Key: UXCYPHCFQAFVFH-UHFFFAOYSA-N Synonym: 3-cyanophenyl isothiocyanate PubChem CID: 76578 IUPAC Name: 3-isothiocyanatobenzonitrile SMILES: C1=CC(=CC(=C1)N=C=S)C#N

Alfa Aesar™ 4-Nitrophenyl isothiocyanate, 97%

CAS: 2131-61-5 Molecular Formula: C7H4N2O2S Molecular Weight (g/mol): 180.181 MDL Number: MFCD00007307 InChI Key: NXHSSIGRWJENBH-UHFFFAOYSA-N Synonym: 1-isothiocyanato-4-nitro-benzene PubChem CID: 75044 IUPAC Name: 1-isothiocyanato-4-nitrobenzene SMILES: C1=CC(=CC=C1N=C=S)[N+](=O)[O-]

Alfa Aesar™ tert-Butyl isothiocyanate, 97%

CAS: 590-42-1 Molecular Formula: C5H9NS Molecular Weight (g/mol): 115.194 MDL Number: MFCD00004816 InChI Key: ZFWFRTVIIMTOLY-UHFFFAOYSA-N Synonym: 2-isothiocyanato-2-methyl-propane PubChem CID: 11544 IUPAC Name: 2-isothiocyanato-2-methylpropane SMILES: CC(C)(C)N=C=S

1-Naphthyl Isothiocyanate 98%, ACROS Organics™

CAS: 551-06-4 Molecular Formula: C11H7NS Molecular Weight (g/mol): 185.25 MDL Number: MFCD00003882 InChI Key: JBDOSUUXMYMWQH-UHFFFAOYSA-N Synonym: 1-naftylisothiokyanat PubChem CID: 11080 ChEBI: CHEBI:35455 IUPAC Name: 1-isothiocyanatonaphthalene SMILES: C1=CC=C2C(=C1)C=CC=C2N=C=S

Alfa Aesar™ 1,4-Phenylene diisothiocyanate, 98%

CAS: 4044-65-9 Molecular Formula: C8H4N2S2 Molecular Weight (g/mol): 192.254 MDL Number: MFCD00004811 InChI Key: OMWQUXGVXQELIX-UHFFFAOYSA-N Synonym: 1,4-phenylene diisothiocyanate PubChem CID: 19958 IUPAC Name: 1,4-diisothiocyanatobenzene SMILES: C1=CC(=CC=C1N=C=S)N=C=S

Phenyl isothiocyanate, 97%, Alfa Aesar™

CAS: 103-72-0 Molecular Formula: C7H5NS Molecular Weight (g/mol): 135.184 MDL Number: MFCD00004798 InChI Key: QKFJKGMPGYROCL-UHFFFAOYSA-N Synonym: benzene, isothiocyanato PubChem CID: 7673 ChEBI: CHEBI:85103 IUPAC Name: isothiocyanatobenzene SMILES: C1=CC=C(C=C1)N=C=S

p-Phenylene Diisothiocyanate 99%, ACROS Organics™

CAS: 4044-65-9 Molecular Formula: C8H4N2S2 Molecular Weight (g/mol): 192.27 MDL Number: MFCD00004811 InChI Key: OMWQUXGVXQELIX-UHFFFAOYSA-N Synonym: 1,4-phenylene diisothiocyanate PubChem CID: 19958 IUPAC Name: 1,4-diisothiocyanatobenzene SMILES: C1=CC(=CC=C1N=C=S)N=C=S

Alfa Aesar™ 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 PubChem CID: 2346 ChEBI: CHEBI:17484 IUPAC Name: isothiocyanatomethylbenzene SMILES: C1=CC=C(C=C1)CN=C=S

Allyl Isothiocyanate, Stabilized 94%, ACROS Organics™

CAS: 57-06-7 Molecular Formula: C4H5NS Molecular Weight (g/mol): 99.15 MDL Number: MFCD00004822 InChI Key: ZOJBYZNEUISWFT-UHFFFAOYSA-N Synonym: allyl isothiocyanate PubChem CID: 5971 ChEBI: CHEBI:73224 IUPAC Name: 3-isothiocyanatoprop-1-ene SMILES: C=CCN=C=S

1,4-Phenylene Diisothiocyanate 98.0+%, TCI America™

CAS: 4044-65-9 Molecular Formula: C8H4N2S2 Molecular Weight (g/mol): 192.254 MDL Number: MFCD00004811 InChI Key: OMWQUXGVXQELIX-UHFFFAOYSA-N Synonym: 1,4-phenylene diisothiocyanate PubChem CID: 19958 IUPAC Name: 1,4-diisothiocyanatobenzene SMILES: C1=CC(=CC=C1N=C=S)N=C=S

Alfa Aesar™ Methyl isothiocyanate, 98%

CAS: 556-61-6 Molecular Formula: C2H3NS Molecular Weight (g/mol): 73.113 MDL Number: MFCD00004818 InChI Key: LGDSHSYDSCRFAB-UHFFFAOYSA-N Synonym: isothiocyanatomethane PubChem CID: 11167 ChEBI: CHEBI:78337 IUPAC Name: methylimino(sulfanylidene)methane SMILES: CN=C=S

Alfa Aesar™ Ethyl isothiocyanate, 97%

CAS: 542-85-8 Molecular Formula: C3H5NS Molecular Weight (g/mol): 87.14 MDL Number: MFCD00004820 InChI Key: HBNYJWAFDZLWRS-UHFFFAOYSA-N Synonym: ccris 7323 PubChem CID: 10966 ChEBI: CHEBI:85098 IUPAC Name: isothiocyanatoethane SMILES: CCN=C=S

Phenyl Isothiocyanate 98.0+%, TCI America™

CAS: 103-72-0 Molecular Formula: C7H5NS Molecular Weight (g/mol): 135.184 MDL Number: MFCD00004798 InChI Key: QKFJKGMPGYROCL-UHFFFAOYSA-N Synonym: benzene, isothiocyanato PubChem CID: 7673 ChEBI: CHEBI:85103 IUPAC Name: isothiocyanatobenzene SMILES: C1=CC=C(C=C1)N=C=S

Alfa Aesar™ 4-Ethylphenyl isothiocyanate, 97%

CAS: 18856-63-8 Molecular Formula: C9H9NS Molecular Weight (g/mol): 163.238 MDL Number: MFCD00041101 InChI Key: XXLWCGRHJFEMQH-UHFFFAOYSA-N Synonym: # PubChem CID: 140438 IUPAC Name: 1-ethyl-4-isothiocyanatobenzene SMILES: CCC1=CC=C(C=C1)N=C=S

Alfa Aesar™ 3-Benzyloxyphenyl isothiocyanate, 97%

CAS: 206559-36-6 Molecular Formula: C14H11NOS Molecular Weight (g/mol): 241.308 MDL Number: MFCD00060374 InChI Key: QJLFNDXMZQJMDL-UHFFFAOYSA-N Synonym: 1-benzyloxy-3-isothiocyanatobenzene PubChem CID: 561446 IUPAC Name: 1-isothiocyanato-3-phenylmethoxybenzene SMILES: C1=CC=C(C=C1)COC2=CC=CC(=C2)N=C=S

Alfa Aesar™ 4-Methoxybenzyl isothiocyanate, 94%

CAS: 3694-57-3 Molecular Formula: C9H9NOS Molecular Weight (g/mol): 179.237 MDL Number: MFCD00041117 InChI Key: IMFQYAJJXFXVMM-UHFFFAOYSA-N Synonym: 1-isothiocyanatomethyl-4-methoxy-benzene PubChem CID: 123197 IUPAC Name: 1-(isothiocyanatomethyl)-4-methoxybenzene SMILES: COC1=CC=C(C=C1)CN=C=S

Alfa Aesar™ 1-Pentyl isothiocyanate, 96%

CAS: 629-12-9 Molecular Formula: C6H11NS Molecular Weight (g/mol): 129.221 MDL Number: MFCD00014444 InChI Key: SGHJUJBYMSVAJY-UHFFFAOYSA-N Synonym: 1-isothiocyanato-pentane PubChem CID: 69415 IUPAC Name: 1-isothiocyanatopentane SMILES: CCCCCN=C=S

Alfa Aesar™ 3-Phenylpropyl isothiocyanate, 98%

CAS: 2627-27-2 Molecular Formula: C10H11NS Molecular Weight (g/mol): 177.265 MDL Number: MFCD00041134 InChI Key: GRUOGLPIAPZLHJ-UHFFFAOYSA-N Synonym: 3-isothiocyanatopropyl benzene PubChem CID: 75815 IUPAC Name: 3-isothiocyanatopropylbenzene SMILES: C1=CC=C(C=C1)CCCN=C=S

Alfa Aesar™ 2-Chloro-4-nitrophenyl isothiocyanate, 97%

CAS: 23165-64-2 Molecular Formula: C7H3ClN2O2S Molecular Weight (g/mol): 214.623 MDL Number: MFCD00041244 InChI Key: JSYNALWWKRNZDX-UHFFFAOYSA-N Synonym: 2-chloranyl-1-isothiocyanato-4-nitro-benzene PubChem CID: 2757736 IUPAC Name: 2-chloro-1-isothiocyanato-4-nitrobenzene SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)N=C=S

4-Ethoxyphenyl isothiocyanate 97%, Maybridge

CAS: 3460-49-9 Molecular Formula: C9H9NOS Molecular Weight (g/mol): 179.237 InChI Key: REEKOMRZYJXXNR-UHFFFAOYSA-N Synonym: 1-ethoxy-4-isothiocyanato-benzene PubChem CID: 77006 IUPAC Name: 1-ethoxy-4-isothiocyanatobenzene SMILES: CCOC1=CC=C(C=C1)N=C=S

Alfa Aesar™ 1-Propyl isothiocyanate, 97%

CAS: 628-30-8 Molecular Formula: C4H7NS Molecular Weight (g/mol): 101.167 MDL Number: MFCD00004823 InChI Key: KKASGUHLXWAKEZ-UHFFFAOYSA-N Synonym: 1-isothiocyanatopropan PubChem CID: 69403 IUPAC Name: 1-isothiocyanatopropane SMILES: CCCN=C=S

Alfa Aesar™ 4-(Methoxycarbonyl)phenyl isothiocyanate, 98+%

CAS: 3662-78-0 Molecular Formula: C9H7NO2S Molecular Weight (g/mol): 193.22 MDL Number: MFCD00041099 InChI Key: WIZODHILGBTPPA-UHFFFAOYSA-N Synonym: # PubChem CID: 138002 IUPAC Name: methyl 4-isothiocyanatobenzoate SMILES: COC(=O)C1=CC=C(C=C1)N=C=S

Alfa Aesar™ 4-Benzyloxyphenyl isothiocyanate, 98%

CAS: 139768-71-1 Molecular Formula: C14H11NOS Molecular Weight (g/mol): 241.308 MDL Number: MFCD00041095 InChI Key: OQXRBXAFSXVCCO-UHFFFAOYSA-N Synonym: 1-benzyloxy-4-isothiocyanatobenzene PubChem CID: 2735503 IUPAC Name: 1-isothiocyanato-4-phenylmethoxybenzene SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)N=C=S

Alfa Aesar™ Cyclopropyl isothiocyanate, 97%

CAS: 56601-42-4 Molecular Formula: C4H5NS Molecular Weight (g/mol): 99.151 MDL Number: MFCD00040874 InChI Key: JGFBQFKZKSSODQ-UHFFFAOYSA-N Synonym: acmc-20albt PubChem CID: 92463 IUPAC Name: isothiocyanatocyclopropane SMILES: C1CC1N=C=S

Alfa Aesar™ 4-n-Butylphenyl isothiocyanate, 97%

CAS: 23165-44-8 Molecular Formula: C11H13NS Molecular Weight (g/mol): 191.292 MDL Number: MFCD00041102 InChI Key: PXVPXJHMTUKENZ-UHFFFAOYSA-N Synonym: # PubChem CID: 141004 IUPAC Name: 1-butyl-4-isothiocyanatobenzene SMILES: CCCCC1=CC=C(C=C1)N=C=S

Alfa Aesar™ 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: 1-isothiocyanato-2-methyl-propane PubChem CID: 68960 IUPAC Name: 1-isothiocyanato-2-methylpropane SMILES: CC(C)CN=C=S

4-chloro-3-nitrophenyl isothiocyanate, Maybridge

CAS: 127142-66-9 Molecular Formula: C7H3ClN2O2S Molecular Weight (g/mol): 214.623 InChI Key: ZXGZBHIDSJXKLE-UHFFFAOYSA-N Synonym: # PubChem CID: 145581 IUPAC Name: 1-chloro-4-isothiocyanato-2-nitrobenzene SMILES: C1=CC(=C(C=C1N=C=S)[N+](=O)[O-])Cl

Alfa Aesar™ 2,6-Dichlorophenyl isothiocyanate, 98+%

CAS: 6590-95-0 Molecular Formula: C7H3Cl2NS Molecular Weight (g/mol): 204.068 MDL Number: MFCD00041056 InChI Key: SUCGVQHNGIQXGD-UHFFFAOYSA-N Synonym: 1,3-dichloro-2-isothiocyanato-benzene PubChem CID: 123239 IUPAC Name: 1,3-dichloro-2-isothiocyanatobenzene SMILES: C1=CC(=C(C(=C1)Cl)N=C=S)Cl

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