CAS 57600-03-0 | 4-PHENYL-5-PYRIDIN-3-YL-4H-[1,2,4]TRIAZOLE-3-THIOL | CAS Number 57600-03-0

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57600-03-0 | 4-PHENYL-5-PYRIDIN-3-YL-4H-[1,2,4]TRIAZOLE-3-THIOL

CAS No: 57600-03-0 Catalog No: AG00EJA5 MDL No:MFCD01210708

Product Description

Catalog Number:

AG00EJA5

Chemical Name:

4-PHENYL-5-PYRIDIN-3-YL-4H-[1,2,4]TRIAZOLE-3-THIOL

CAS Number:

57600-03-0

Molecular Formula:

C13H10N4S

Molecular Weight:

254.3103

MDL Number:

MFCD01210708

IUPAC Name:

4-phenyl-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C13H10N4S/c18-13-16-15-12(10-5-4-8-14-9-10)17(13)11-6-2-1-3-7-11/h1-9H,(H,16,18)

InChI Key:

MXPQWTUKCULYHR-UHFFFAOYSA-N

SMILES:

Sc1nnc(n1c1ccccc1)c1cccnc1

Properties

Complexity:

349

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

254.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

254.311g/mol

Monoisotopic Mass:

254.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1

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
Synthesis and biological action of 1-aminomethyl derivatives of 3-R-4-phenyl-delta2-1,2,4-triazoline-5-thione.	Acta poloniae pharmaceutica 20050101