Name: Name:5-(2-aminoethyl)-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol hydrochloride
Brand: Angene
SKU: AG01AB34
Rating: 90 (10 reviews)

5-(2-aminoethyl)-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol hydrochloride

CAS No.:

1258652-25-3

Catalog Number:

AG01AB34

Molecular Formula:

C7H15ClN4S

Molecular Weight:

222.7388

Catalog Number:

AG01AB34

Chemical Name:

5-(2-aminoethyl)-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol hydrochloride

CAS Number:

1258652-25-3

Molecular Formula:

C7H15ClN4S

Molecular Weight:

222.7388

MDL Number:

MFCD17977047

IUPAC Name:

3-(2-aminoethyl)-4-propan-2-yl-1H-1,2,4-triazole-5-thione;hydrochloride

InChI:

InChI=1S/C7H14N4S.ClH/c1-5(2)11-6(3-4-8)9-10-7(11)12;/h5H,3-4,8H2,1-2H3,(H,10,12);1H

InChI Key:

DAXZXAVUMMZNMS-UHFFFAOYSA-N

SMILES:

NCCc1nnc(n1C(C)C)S.Cl

Complexity:

212

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

222.071g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

222.735g/mol

Monoisotopic Mass:

222.071g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

85.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: