Name: Name:ethyl 5-amino-4-(cyanosulfanyl)-3-methylthiophene-2-carboxylate
Brand: Angene
SKU: AG01AIT9
Rating: 90 (10 reviews)

ethyl 5-amino-4-(cyanosulfanyl)-3-methylthiophene-2-carboxylate

CAS No.:

41940-49-2

Catalog Number:

AG01AIT9

Molecular Formula:

C9H10N2O2S2

Molecular Weight:

242.3179

Catalog Number:

AG01AIT9

Chemical Name:

ethyl 5-amino-4-(cyanosulfanyl)-3-methylthiophene-2-carboxylate

CAS Number:

41940-49-2

Molecular Formula:

C9H10N2O2S2

Molecular Weight:

242.3179

MDL Number:

MFCD00449094

IUPAC Name:

ethyl 5-amino-3-methyl-4-thiocyanatothiophene-2-carboxylate

InChI:

InChI=1S/C9H10N2O2S2/c1-3-13-9(12)7-5(2)6(14-4-10)8(11)15-7/h3,11H2,1-2H3

InChI Key:

ZVHGVWDEGAATHK-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1sc(c(c1C)SC#N)N

Complexity:

289

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

242.018g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

242.311g/mol

Monoisotopic Mass:

242.018g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

130A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7