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Home > Imidazoles > 67624-25-3
67624-25-3 | 2H-Benzimidazole-2-thione,1,3-dihydro-1-propyl-(9CI)
CAS No: 67624-25-3 Catalog No: AG00FD44 MDL No:MFCD01008568
Product Description
Catalog Number:
AG00FD44
Chemical Name:
2H-Benzimidazole-2-thione,1,3-dihydro-1-propyl-(9CI)
CAS Number:
67624-25-3
Molecular Formula:
C10H12N2S
Molecular Weight:
192.2807
MDL Number:
MFCD01008568
IUPAC Name:
3-propyl-1H-benzimidazole-2-thione
InChI:
InChI=1S/C10H12N2S/c1-2-7-12-9-6-4-3-5-8(9)11-10(12)13/h3-6H,2,7H2,1H3,(H,11,13)
InChI Key:
XAFRACXOYNCLMP-UHFFFAOYSA-N
SMILES:
CCCn1c(S)nc2c1cccc2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.072g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.28g/mol
Monoisotopic Mass:
192.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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