Name: Name:2-Thiophenecarboxylic acid, 4-cyano-5-(methylthio)-, ethyl ester
Brand: Angene
SKU: AG000BSX
Rating: 90 (10 reviews)

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

CAS No.:

116170-84-4

Catalog Number:

AG000BSX

Molecular Formula:

C9H9NO2S2

Molecular Weight:

227.3033

Catalog Number:

AG000BSX

Chemical Name:

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

CAS Number:

116170-84-4

Molecular Formula:

C9H9NO2S2

Molecular Weight:

227.3033

MDL Number:

MFCD01859680

IUPAC Name:

ethyl 4-cyano-5-methylsulfanylthiophene-2-carboxylate

InChI:

InChI=1S/C9H9NO2S2/c1-3-12-8(11)7-4-6(5-10)9(13-2)14-7/h4H,3H2,1-2H3

InChI Key:

UOHGLSFLWKHJKB-UHFFFAOYSA-N

SMILES:

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

Complexity:

261

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.007g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

227.296g/mol

Monoisotopic Mass:

227.007g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

104A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7