Name: Name:2-{[4-(1-methoxypropan-2-yl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Brand: Angene
SKU: AG01A945
Rating: 90 (10 reviews)

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

CAS No.:

1038360-54-1

Catalog Number:

AG01A945

Molecular Formula:

C14H17N3O3S

Molecular Weight:

307.3681

Catalog Number:

AG01A945

Chemical Name:

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

CAS Number:

1038360-54-1

Molecular Formula:

C14H17N3O3S

Molecular Weight:

307.3681

MDL Number:

MFCD13465840

IUPAC Name:

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

InChI:

InChI=1S/C14H17N3O3S/c1-10(8-20-2)17-13(11-6-4-3-5-7-11)15-16-14(17)21-9-12(18)19/h3-7,10H,8-9H2,1-2H3,(H,18,19)

InChI Key:

JALYBPZTCHCKCB-UHFFFAOYSA-N

SMILES:

COCC(n1c(SCC(=O)O)nnc1c1ccccc1)C

Complexity:

339

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

307.099g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

307.368g/mol

Monoisotopic Mass:

307.099g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

103A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7