Name: Name:4-benzyl-5-cyclopropyl-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG019I9D
Rating: 90 (10 reviews)

4-benzyl-5-cyclopropyl-4H-1,2,4-triazole-3-thiol

CAS No.:

571158-91-3

Catalog Number:

AG019I9D

Molecular Formula:

C12H13N3S

Molecular Weight:

231.3167

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Product Description

Catalog Number:

AG019I9D

Chemical Name:

4-benzyl-5-cyclopropyl-4H-1,2,4-triazole-3-thiol

CAS Number:

571158-91-3

Molecular Formula:

C12H13N3S

Molecular Weight:

231.3167

MDL Number:

MFCD03986051

IUPAC Name:

4-benzyl-3-cyclopropyl-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C12H13N3S/c16-12-14-13-11(10-6-7-10)15(12)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,16)

InChI Key:

KERPBPQHHRPCMV-UHFFFAOYSA-N

SMILES:

Sc1nnc(n1Cc1ccccc1)C1CC1

Properties

Complexity:

316

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.083g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.317g/mol

Monoisotopic Mass:

231.083g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501