Products 3125-66-4

CAS 3125-66-4 appears in our catalog under these names: 3-Methoxycarbonylphenyl isothiocyanate, 95%, 3-Methoxycarbonylphenylisothiocyanate, 98%. Offered by: Combi-blocks, AmBeed. Available pack sizes: 1g, 10g, 5g.

3-Methoxycarbonylphenyl isothiocyanate, 95%
Combi-blocks
  • size: 1g, 10g, 5g
  • Variants: 3
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3-Methoxycarbonylphenylisothiocyanate, 98%
AmBeed
  • size: 10g
  • Variants: 1
from 7602.07
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Structural formula: {0} (CAS {1})

Methyl 3-isothiocyanatobenzoate (CAS 3125-66-4) is a chemical compound with the molecular formula C9H7NO2S and a molecular weight of 193.22 g/mol. IUPAC name: methyl 3-isothiocyanatobenzoate. InChIKey: NQXFZEJJHPUMMF-UHFFFAOYSA-N.

Identity
Molecular formulaC9H7NO2S
Molecular weight193.22 g/mol
IUPAC namemethyl 3-isothiocyanatobenzoate
InChIKeyNQXFZEJJHPUMMF-UHFFFAOYSA-N
SMILESCOC(=O)C1=CC(=CC=C1)N=C=S

Computed by PubChem (NCBI)

Synonyms: Methyl 3-isothiocyanatobenzoate, 3-Methoxycarbonylphenyl isothiocyanate, 3-(Methoxycarbonyl)phenyl isothiocyanate, 3-Methoxycarbonylphenylisothiocyanate, 3-isothiocyanatobenzoic acid methyl ester, 3-isothiocyanato-benzoic acid methyl ester, Methyl 3-isothiocyanatobenzoate #
Isomers (same molecular formula)
methyl thieno[2,3-c]pyridine-5-carboxylate C9H7NO2S
5-thiophen-3-yl-1H-pyrrole-2-carboxylic acid C9H7NO2S
6-isothiocyanato-2,3-dihydro-1,4-benzodioxine C9H7NO2S
methyl thieno[2,3-b]pyridine-2-carboxylate C9H7NO2S
methyl (Z)-2-cyano-3-thiophen-3-ylprop-2-enoate C9H7NO2S
5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbaldehyde C9H7NO2S
methyl thieno[3,2-c]pyridine-2-carboxylate C9H7NO2S
2-methyl-1,3-benzothiazole-5-carboxylic acid C9H7NO2S
methyl 4-isothiocyanatobenzoate C9H7NO2S
5-(isothiocyanatomethyl)-1,3-benzodioxole C9H7NO2S
6-acetyl-3H-1,3-benzothiazol-2-one C9H7NO2S
methyl 2-isothiocyanatobenzoate C9H7NO2S