Name: Name:2-({4-amino-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
Brand: Angene
SKU: AG01A14X
Rating: 90 (10 reviews)

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

CAS No.:

1038305-08-6

Catalog Number:

AG01A14X

Molecular Formula:

C11H9F3N4O2S

Molecular Weight:

318.2750

Catalog Number:

AG01A14X

Chemical Name:

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

CAS Number:

1038305-08-6

Molecular Formula:

C11H9F3N4O2S

Molecular Weight:

318.2750

MDL Number:

MFCD24369161

IUPAC Name:

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

InChI:

InChI=1S/C11H9F3N4O2S/c12-11(13,14)7-3-1-6(2-4-7)9-16-17-10(18(9)15)21-5-8(19)20/h1-4H,5,15H2,(H,19,20)

InChI Key:

NVJORDDINBLNKO-UHFFFAOYSA-N

SMILES:

OC(=O)CSc1nnc(n1N)c1ccc(cc1)C(F)(F)F

Complexity:

377

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

318.04g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

318.274g/mol

Monoisotopic Mass:

318.04g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

119A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2