Name: Name:4-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG006NOB
Rating: 90 (10 reviews)

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

CAS No.:

66297-55-0

Catalog Number:

AG006NOB

Molecular Formula:

C8H6ClN3S

Molecular Weight:

211.6713

Catalog Number:

AG006NOB

Chemical Name:

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

CAS Number:

66297-55-0

Molecular Formula:

C8H6ClN3S

Molecular Weight:

211.6713

MDL Number:

MFCD04054548

IUPAC Name:

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

InChI:

InChI=1S/C8H6ClN3S/c9-6-2-1-3-7(4-6)12-5-10-11-8(12)13/h1-5H,(H,11,13)

InChI Key:

BUJPRPNYDPDHJB-UHFFFAOYSA-N

SMILES:

Clc1cccc(c1)n1cn[nH]c1=S

Complexity:

244

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

210.997g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

211.667g/mol

Monoisotopic Mass:

210.997g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2