Name: Name:4-cyclohexyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG019HG4
Rating: 90 (10 reviews)

4-cyclohexyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

CAS No.:

522606-85-5

Catalog Number:

AG019HG4

Molecular Formula:

C13H17N3S2

Molecular Weight:

279.4242

Catalog Number:

AG019HG4

Chemical Name:

4-cyclohexyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

CAS Number:

522606-85-5

Molecular Formula:

C13H17N3S2

Molecular Weight:

279.4242

MDL Number:

MFCD03483910

IUPAC Name:

4-cyclohexyl-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C13H17N3S2/c17-13-15-14-12(9-11-7-4-8-18-11)16(13)10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,15,17)

InChI Key:

WOGBURNHLMDEBL-UHFFFAOYSA-N

SMILES:

Sc1nnc(n1C1CCCCC1)Cc1cccs1

Complexity:

350

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

279.086g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

279.42g/mol

Monoisotopic Mass:

279.086g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1