Name: Name:2-(3-propyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)acetic acid
Brand: Angene
SKU: AG019OBR
Rating: 90 (10 reviews)

2-(3-propyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)acetic acid

CAS No.:

853723-94-1

Catalog Number:

AG019OBR

Molecular Formula:

C7H11N3O2S

Molecular Weight:

201.2461

Catalog Number:

AG019OBR

Chemical Name:

2-(3-propyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)acetic acid

CAS Number:

853723-94-1

Molecular Formula:

C7H11N3O2S

Molecular Weight:

201.2461

MDL Number:

MFCD06655867

IUPAC Name:

2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetic acid

InChI:

InChI=1S/C7H11N3O2S/c1-2-3-5-8-9-7(13)10(5)4-6(11)12/h2-4H2,1H3,(H,9,13)(H,11,12)

InChI Key:

XMKLBQBIIALMQA-UHFFFAOYSA-N

SMILES:

CCCc1nnc(n1CC(=O)O)S

Complexity:

265

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:

97A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4