Name: Name:3-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
Brand: Angene
SKU: AG019SUG
Rating: 90 (10 reviews)

3-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid

CAS No.:

1082259-53-7

Catalog Number:

AG019SUG

Molecular Formula:

C6H9N3O2S

Molecular Weight:

187.2196

Catalog Number:

AG019SUG

Chemical Name:

3-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid

CAS Number:

1082259-53-7

Molecular Formula:

C6H9N3O2S

Molecular Weight:

187.2196

MDL Number:

MFCD11576372

IUPAC Name:

3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid

InChI:

InChI=1S/C6H9N3O2S/c1-4-7-6(9-8-4)12-3-2-5(10)11/h2-3H2,1H3,(H,10,11)(H,7,8,9)

InChI Key:

FCSMOXUAVKGBDP-UHFFFAOYSA-N

SMILES:

Cc1nnc([nH]1)SCCC(=O)O

Complexity:

167

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

187.042g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

187.217g/mol

Monoisotopic Mass:

187.042g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

104A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7