Name: Name:4-cyclopropyl-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG019M34
Rating: 90 (10 reviews)

4-cyclopropyl-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol

CAS No.:

854137-74-9

Catalog Number:

AG019M34

Molecular Formula:

C10H10N4S

Molecular Weight:

218.2782

Catalog Number:

AG019M34

Chemical Name:

4-cyclopropyl-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol

CAS Number:

854137-74-9

Molecular Formula:

C10H10N4S

Molecular Weight:

218.2782

MDL Number:

MFCD07311002

IUPAC Name:

4-cyclopropyl-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C10H10N4S/c15-10-13-12-9(14(10)8-3-4-8)7-2-1-5-11-6-7/h1-2,5-6,8H,3-4H2,(H,13,15)

InChI Key:

BSSUFTAITZXBCO-UHFFFAOYSA-N

SMILES:

Sc1nnc(n1C1CC1)c1cccnc1

Complexity:

311

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

218.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

218.278g/mol

Monoisotopic Mass:

218.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1