CAS 31493-51-3 | 2H-Benzimidazole-2-thione, 1,3-dihydro-1-(phenylmethyl)- | CAS Number 31493-51-3

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31493-51-3 | 2H-Benzimidazole-2-thione, 1,3-dihydro-1-(phenylmethyl)-

CAS No: 31493-51-3 Catalog No: AG00I5YL MDL No:MFCD00445901

Product Description

Catalog Number:

AG00I5YL

Chemical Name:

2H-Benzimidazole-2-thione, 1,3-dihydro-1-(phenylmethyl)-

CAS Number:

31493-51-3

Molecular Formula:

C14H12N2S

Molecular Weight:

240.3235

MDL Number:

MFCD00445901

IUPAC Name:

3-benzyl-1H-benzimidazole-2-thione

InChI:

InChI=1S/C14H12N2S/c17-14-15-12-8-4-5-9-13(12)16(14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,17)

InChI Key:

NPCKYDJGUXAGPP-UHFFFAOYSA-N

SMILES:

Sc1nc2c(n1Cc1ccccc1)cccc2

Properties

Complexity:

286

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

240.072g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

240.324g/mol

Monoisotopic Mass:

240.072g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
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