Name: Name:5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG01A0MJ
Rating: 90 (10 reviews)

5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

CAS No.:

694460-54-3

Catalog Number:

AG01A0MJ

Molecular Formula:

C13H10FN3OS

Molecular Weight:

275.3014

Catalog Number:

AG01A0MJ

Chemical Name:

5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

CAS Number:

694460-54-3

Molecular Formula:

C13H10FN3OS

Molecular Weight:

275.3014

MDL Number:

MFCD07364201

IUPAC Name:

3-(2-fluorophenyl)-4-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C13H10FN3OS/c14-11-6-2-1-5-10(11)12-15-16-13(19)17(12)8-9-4-3-7-18-9/h1-7H,8H2,(H,16,19)

InChI Key:

BGJFTJXWNRNAGW-UHFFFAOYSA-N

SMILES:

Sc1nnc(n1Cc1ccco1)c1ccccc1F

Complexity:

390

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

275.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

275.301g/mol

Monoisotopic Mass:

275.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3