Name: Name:4-(3-chlorophenyl)-5-(pyrrolidin-1-yl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG019OF9
Rating: 90 (10 reviews)

4-(3-chlorophenyl)-5-(pyrrolidin-1-yl)-4H-1,2,4-triazole-3-thiol

CAS No.:

879319-52-5

Catalog Number:

AG019OF9

Molecular Formula:

C12H13ClN4S

Molecular Weight:

280.7764

Catalog Number:

AG019OF9

Chemical Name:

4-(3-chlorophenyl)-5-(pyrrolidin-1-yl)-4H-1,2,4-triazole-3-thiol

CAS Number:

879319-52-5

Molecular Formula:

C12H13ClN4S

Molecular Weight:

280.7764

MDL Number:

MFCD07366314

IUPAC Name:

4-(3-chlorophenyl)-3-pyrrolidin-1-yl-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C12H13ClN4S/c13-9-4-3-5-10(8-9)17-11(14-15-12(17)18)16-6-1-2-7-16/h3-5,8H,1-2,6-7H2,(H,15,18)

InChI Key:

HUUSRIDVGXDBGE-UHFFFAOYSA-N

SMILES:

Clc1cccc(c1)n1c(S)nnc1N1CCCC1

Complexity:

367

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

280.055g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

280.774g/mol

Monoisotopic Mass:

280.055g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7