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Home > Imidazoles > 72324-66-4
72324-66-4 | 1-PHENYL-4,5,6,7-TETRAHYDRO-1H-BENZIMIDAZOLE-2-THIOL
CAS No: 72324-66-4 Catalog No: AG00FC5D MDL No:MFCD04626497
Product Description
Catalog Number:
AG00FC5D
Chemical Name:
1-PHENYL-4,5,6,7-TETRAHYDRO-1H-BENZIMIDAZOLE-2-THIOL
CAS Number:
72324-66-4
Molecular Formula:
C13H14N2S
Molecular Weight:
230.3287
MDL Number:
MFCD04626497
IUPAC Name:
3-phenyl-4,5,6,7-tetrahydro-1H-benzimidazole-2-thione
InChI:
InChI=1S/C13H14N2S/c16-13-14-11-8-4-5-9-12(11)15(13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,14,16)
InChI Key:
OUQLDCQVKASCIK-UHFFFAOYSA-N
SMILES:
Sc1nc2c(n1c1ccccc1)CCCC2
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.088g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.329g/mol
Monoisotopic Mass:
230.088g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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