CAS 3287-79-4 | 2H-Benzimidazole-2-thione,1,3-dihydro-5,6-dimethyl-(9CI) | CAS Number 3287-79-4

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3287-79-4 | 2H-Benzimidazole-2-thione,1,3-dihydro-5,6-dimethyl-(9CI)

CAS No: 3287-79-4 Catalog No: AG00CWHD MDL No:MFCD00519115

Product Description

Catalog Number:

AG00CWHD

Chemical Name:

2H-Benzimidazole-2-thione,1,3-dihydro-5,6-dimethyl-(9CI)

CAS Number:

3287-79-4

Molecular Formula:

C9H10N2S

Molecular Weight:

178.2541

MDL Number:

MFCD00519115

IUPAC Name:

5,6-dimethyl-1,3-dihydrobenzimidazole-2-thione

InChI:

InChI=1S/C9H10N2S/c1-5-3-7-8(4-6(5)2)11-9(12)10-7/h3-4H,1-2H3,(H2,10,11,12)

InChI Key:

CKUXMYYDAQIJRQ-UHFFFAOYSA-N

SMILES:

Sc1[nH]c2c(n1)cc(c(c2)C)C

NSC Number:

91882

Properties

Complexity:

185

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

178.056g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

178.253g/mol

Monoisotopic Mass:

178.056g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

56.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1

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