Name: Name:2-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Brand: Angene
SKU: AG019K5W
Rating: 90 (10 reviews)

2-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

CAS No.:

923232-99-9

Catalog Number:

AG019K5W

Molecular Formula:

C7H11N3O2S

Molecular Weight:

201.2461

Catalog Number:

AG019K5W

Chemical Name:

2-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

CAS Number:

923232-99-9

Molecular Formula:

C7H11N3O2S

Molecular Weight:

201.2461

MDL Number:

MFCD08444446

IUPAC Name:

2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid

InChI:

InChI=1S/C7H11N3O2S/c1-5(2)10-4-8-9-7(10)13-3-6(11)12/h4-5H,3H2,1-2H3,(H,11,12)

InChI Key:

RBJJNVSKCASWSY-UHFFFAOYSA-N

SMILES:

CC(n1cnnc1SCC(=O)O)C

Complexity:

189

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

201.057g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

201.244g/mol

Monoisotopic Mass:

201.057g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6