Name: Name:2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
Brand: Angene
SKU: AG019VC9
Rating: 90 (10 reviews)

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

CAS No.:

919465-98-8

Catalog Number:

AG019VC9

Molecular Formula:

C6H9N3O2S

Molecular Weight:

187.2196

Catalog Number:

AG019VC9

Chemical Name:

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

CAS Number:

919465-98-8

Molecular Formula:

C6H9N3O2S

Molecular Weight:

187.2196

MDL Number:

MFCD04389296

IUPAC Name:

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

InChI:

InChI=1S/C6H9N3O2S/c1-4(5(10)11)12-6-8-7-3-9(6)2/h3-4H,1-2H3,(H,10,11)

InChI Key:

XCOHBZMWQFIYRS-UHFFFAOYSA-N

SMILES:

CC(C(=O)O)Sc1nncn1C

Complexity:

178

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:

93.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3