Name: Name:2-{[4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Brand: Angene
SKU: AG019IVY
Rating: 90 (10 reviews)

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

CAS No.:

537016-62-9

Catalog Number:

AG019IVY

Molecular Formula:

C10H11N3O3S

Molecular Weight:

253.2776

Catalog Number:

AG019IVY

Chemical Name:

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

CAS Number:

537016-62-9

Molecular Formula:

C10H11N3O3S

Molecular Weight:

253.2776

MDL Number:

MFCD02596624

IUPAC Name:

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

InChI:

InChI=1S/C10H11N3O3S/c1-2-13-9(7-4-3-5-16-7)11-12-10(13)17-6-8(14)15/h3-5H,2,6H2,1H3,(H,14,15)

InChI Key:

XKDQSHRGTJXAJN-UHFFFAOYSA-N

SMILES:

CCn1c(SCC(=O)O)nnc1c1ccco1

Complexity:

280

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

253.052g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

253.276g/mol

Monoisotopic Mass:

253.052g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

106A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9