Name: Name:2-{[4-amino-5-(2-methylfuran-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Brand: Angene
SKU: AG019NX2
Rating: 90 (10 reviews)

2-{[4-amino-5-(2-methylfuran-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

CAS No.:

851468-08-1

Catalog Number:

AG019NX2

Molecular Formula:

C9H10N4O3S

Molecular Weight:

254.2657

Catalog Number:

AG019NX2

Chemical Name:

2-{[4-amino-5-(2-methylfuran-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

CAS Number:

851468-08-1

Molecular Formula:

C9H10N4O3S

Molecular Weight:

254.2657

MDL Number:

MFCD06382014

IUPAC Name:

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

InChI:

InChI=1S/C9H10N4O3S/c1-5-6(2-3-16-5)8-11-12-9(13(8)10)17-4-7(14)15/h2-3H,4,10H2,1H3,(H,14,15)

InChI Key:

BGNZMSYUWRAWNC-UHFFFAOYSA-N

SMILES:

Cc1occc1c1nnc(n1N)SCC(=O)O

Complexity:

293

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

254.047g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

254.264g/mol

Monoisotopic Mass:

254.047g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

133A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7