Name: Name:5-(aminomethyl)-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol hydrochloride
Brand: Angene
SKU: AG01AAZ4
Rating: 90 (10 reviews)

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

CAS No.:

1258639-70-1

Catalog Number:

AG01AAZ4

Molecular Formula:

C6H13ClN4S

Molecular Weight:

208.7122

Catalog Number:

AG01AAZ4

Chemical Name:

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

CAS Number:

1258639-70-1

Molecular Formula:

C6H13ClN4S

Molecular Weight:

208.7122

MDL Number:

MFCD17977001

IUPAC Name:

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

InChI:

InChI=1S/C6H12N4S.ClH/c1-4(2)10-5(3-7)8-9-6(10)11;/h4H,3,7H2,1-2H3,(H,9,11);1H

InChI Key:

OTSIDEDQKBJKMA-UHFFFAOYSA-N

SMILES:

NCc1nnc(n1C(C)C)S.Cl

Complexity:

199

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

208.055g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

208.708g/mol

Monoisotopic Mass:

208.055g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

85.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: