Name: Name:4-ethyl-5-(piperidin-3-yl)-4H-1,2,4-triazole-3-thiol hydrochloride
Brand: Angene
SKU: AG01AB5T
Rating: 90 (10 reviews)

4-ethyl-5-(piperidin-3-yl)-4H-1,2,4-triazole-3-thiol hydrochloride

CAS No.:

1258652-37-7

Catalog Number:

AG01AB5T

Molecular Formula:

C9H17ClN4S

Molecular Weight:

248.7761

Catalog Number:

AG01AB5T

Chemical Name:

4-ethyl-5-(piperidin-3-yl)-4H-1,2,4-triazole-3-thiol hydrochloride

CAS Number:

1258652-37-7

Molecular Formula:

C9H17ClN4S

Molecular Weight:

248.7761

MDL Number:

MFCD17977079

IUPAC Name:

4-ethyl-3-piperidin-3-yl-1H-1,2,4-triazole-5-thione;hydrochloride

InChI:

InChI=1S/C9H16N4S.ClH/c1-2-13-8(11-12-9(13)14)7-4-3-5-10-6-7;/h7,10H,2-6H2,1H3,(H,12,14);1H

InChI Key:

JEKCXBOMKIUXRJ-UHFFFAOYSA-N

SMILES:

CCn1c(S)nnc1C1CCCNC1.Cl

Complexity:

264

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

248.086g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

248.773g/mol

Monoisotopic Mass:

248.086g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

71.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: