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23269-10-5 | 2H-Imidazole-2-thione, 1,3-dihydro-1-(phenylmethyl)-
CAS No: 23269-10-5 Catalog No: AG002MPY MDL No:MFCD00090236
Product Description
Catalog Number:
AG002MPY
Chemical Name:
2H-Imidazole-2-thione, 1,3-dihydro-1-(phenylmethyl)-
CAS Number:
23269-10-5
Molecular Formula:
C10H10N2S
Molecular Weight:
190.2648
MDL Number:
MFCD00090236
IUPAC Name:
3-benzyl-1H-imidazole-2-thione
InChI:
InChI=1S/C10H10N2S/c13-10-11-6-7-12(10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,11,13)
InChI Key:
AOCFYLGZVCPZML-UHFFFAOYSA-N
SMILES:
S=c1[nH]ccn1Cc1ccccc1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.264g/mol
Monoisotopic Mass:
190.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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 |
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