Name: Name:3H-1,2,4-Triazole-3-thione, 4-amino-5-(3-chlorophenyl)-2,4-dihydro-
Brand: Angene
SKU: AG000E49
Rating: 90 (10 reviews)

3H-1,2,4-Triazole-3-thione, 4-amino-5-(3-chlorophenyl)-2,4-dihydro-

CAS No.:

117320-66-8

Catalog Number:

AG000E49

Molecular Formula:

C8H7ClN4S

Molecular Weight:

226.6860

Catalog Number:

AG000E49

Chemical Name:

3H-1,2,4-Triazole-3-thione, 4-amino-5-(3-chlorophenyl)-2,4-dihydro-

CAS Number:

117320-66-8

Molecular Formula:

C8H7ClN4S

Molecular Weight:

226.6860

MDL Number:

MFCD01940466

IUPAC Name:

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

InChI:

InChI=1S/C8H7ClN4S/c9-6-3-1-2-5(4-6)7-11-12-8(14)13(7)10/h1-4H,10H2,(H,12,14)

InChI Key:

HATVJWDMJSXPDC-UHFFFAOYSA-N

SMILES:

Clc1cccc(c1)c1n[nH]c(=S)n1N

Complexity:

281

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.008g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.682g/mol

Monoisotopic Mass:

226.008g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

85.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5