Name: Name:2-Thiophenecarboxylic acid, 4-cyano-5-(methylthio)-, methyl ester
Brand: Angene
SKU: AG0020HD
Rating: 90 (10 reviews)

2-Thiophenecarboxylic acid, 4-cyano-5-(methylthio)-, methyl ester

CAS No.:

175202-48-9

Catalog Number:

AG0020HD

Molecular Formula:

C8H7NO2S2

Molecular Weight:

213.2767

Catalog Number:

AG0020HD

Chemical Name:

2-Thiophenecarboxylic acid, 4-cyano-5-(methylthio)-, methyl ester

CAS Number:

175202-48-9

Molecular Formula:

C8H7NO2S2

Molecular Weight:

213.2767

MDL Number:

MFCD00173757

IUPAC Name:

methyl 4-cyano-5-methylsulfanylthiophene-2-carboxylate

InChI:

InChI=1S/C8H7NO2S2/c1-11-7(10)6-3-5(4-9)8(12-2)13-6/h3H,1-2H3

InChI Key:

MJOQLNYXSSXZDJ-UHFFFAOYSA-N

SMILES:

COC(=O)c1sc(c(c1)C#N)SC

Complexity:

248

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

212.992g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

213.269g/mol

Monoisotopic Mass:

212.992g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

104A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4