Products 588694-54-6

CAS 588694-54-6 is the registry number for Methyl 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, 95%. Offered by: Combi-blocks, AmBeed. Available pack sizes: 5g, 250mg, 1g.

Methyl 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, 95%
Combi-blocks, AmBeed
  • size: 5g, 250mg, 1g
  • Variants: 4
from 10225.60
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Structural formula: {0} (CAS {1})

Methyl 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 588694-54-6) is a chemical compound with the molecular formula C11H11NO2S2 and a molecular weight of 253.3 g/mol. IUPAC name: methyl 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. InChIKey: JKVSSDPOTCLFKE-UHFFFAOYSA-N.

Identity
Molecular formulaC11H11NO2S2
Molecular weight253.3 g/mol
IUPAC namemethyl 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
InChIKeyJKVSSDPOTCLFKE-UHFFFAOYSA-N
SMILESCOC(=O)C1=C(SC2=C1CCCC2)N=C=S

Computed by PubChem (NCBI)

Synonyms: methyl 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, JKVSSDPOTCLFKE-UHFFFAOYSA-N, Methyl 2-isothiocyanato-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate, methyl 2-isothiocyanato-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 4,5,6,7-tetrahydro-2-isothiocyanatobenzo[b]thiophene-3-carboxylate
Isomers (same molecular formula)
4-(1,3-benzothiazol-2-ylsulfanyl)butanoic acid C11H11NO2S2
ethyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate C11H11NO2S2
N-benzylthiophene-2-sulfonamide C11H11NO2S2
1-(benzenesulfonyl)-2-methylsulfanylpyrrole C11H11NO2S2
ethyl 2-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxylate C11H11NO2S2
2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoic acid C11H11NO2S2
benzyl 2-sulfanylidene-1,3-thiazolidine-3-carboxylate C11H11NO2S2
ethyl 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate C11H11NO2S2
ethyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate C11H11NO2S2
3-(4-ethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one C11H11NO2S2