Name: Name:4-(2-chlorophenyl)-5-(pyrrolidin-1-yl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG019OEJ
Rating: 90 (10 reviews)

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

CAS No.:

847783-70-4

Catalog Number:

AG019OEJ

Molecular Formula:

C12H13ClN4S

Molecular Weight:

280.7764

Catalog Number:

AG019OEJ

Chemical Name:

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

CAS Number:

847783-70-4

Molecular Formula:

C12H13ClN4S

Molecular Weight:

280.7764

MDL Number:

MFCD07311125

IUPAC Name:

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

InChI:

InChI=1S/C12H13ClN4S/c13-9-5-1-2-6-10(9)17-11(14-15-12(17)18)16-7-3-4-8-16/h1-2,5-6H,3-4,7-8H2,(H,15,18)

InChI Key:

UFGXPYRTUJDUSA-UHFFFAOYSA-N

SMILES:

Sc1nnc(n1c1ccccc1Cl)N1CCCC1

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