Name: Name:4-Amino-5-(2,4-dichloro-phenyl)-4H-[1,2,4]triazole-3-thiol
Brand: Angene
SKU: AG006ENK
Rating: 90 (10 reviews)

4-Amino-5-(2,4-dichloro-phenyl)-4H-[1,2,4]triazole-3-thiol

CAS No.:

93677-89-5

Catalog Number:

AG006ENK

Molecular Formula:

C8H6Cl2N4S

Molecular Weight:

261.1310

Catalog Number:

AG006ENK

Chemical Name:

4-Amino-5-(2,4-dichloro-phenyl)-4H-[1,2,4]triazole-3-thiol

CAS Number:

93677-89-5

Molecular Formula:

C8H6Cl2N4S

Molecular Weight:

261.1310

MDL Number:

MFCD00269269

IUPAC Name:

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

InChI:

InChI=1S/C8H6Cl2N4S/c9-4-1-2-5(6(10)3-4)7-12-13-8(15)14(7)11/h1-3H,11H2,(H,13,15)

InChI Key:

MRAFZTIQQGCSTN-UHFFFAOYSA-N

SMILES:

Clc1ccc(c(c1)Cl)c1n[nH]c(=S)n1N

Complexity:

309

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

259.969g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

261.124g/mol

Monoisotopic Mass:

259.969g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

85.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1