Name: Name:2-((5-Ethyl-4H-1,2,4-triazol-3-yl)thio)acetic acid
Brand: Angene
SKU: AG00C5TI
Rating: 90 (10 reviews)

2-((5-Ethyl-4H-1,2,4-triazol-3-yl)thio)acetic acid

CAS No.:

371126-60-2

Catalog Number:

AG00C5TI

Molecular Formula:

C6H9N3O2S

Molecular Weight:

187.2196

Catalog Number:

AG00C5TI

Chemical Name:

2-((5-Ethyl-4H-1,2,4-triazol-3-yl)thio)acetic acid

CAS Number:

371126-60-2

Molecular Formula:

C6H9N3O2S

Molecular Weight:

187.2196

MDL Number:

MFCD01049013

IUPAC Name:

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

InChI:

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

InChI Key:

AHIZVWLSIUZYEI-UHFFFAOYSA-N

SMILES:

CCc1nnc([nH]1)SCC(=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:

1.3