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27231-36-3 | 5-Methyl-1H-benzo[d]imidazole-2(3H)-thione
CAS No: 27231-36-3 Catalog No: AG003MUO MDL No:MFCD00010617
Product Description
Catalog Number:
AG003MUO
Chemical Name:
5-Methyl-1H-benzo[d]imidazole-2(3H)-thione
CAS Number:
27231-36-3
Molecular Formula:
C8H8N2S
Molecular Weight:
164.2275
MDL Number:
MFCD00010617
IUPAC Name:
5-methyl-1,3-dihydrobenzimidazole-2-thione
InChI:
InChI=1S/C8H8N2S/c1-5-2-3-6-7(4-5)10-8(11)9-6/h2-4H,1H3,(H2,9,10,11)
InChI Key:
CWIYBOJLSWJGKV-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)nc([nH]2)S
EC Number:
248-350-5
NSC Number:
231400
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.041g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.226g/mol
Monoisotopic Mass:
164.041g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Iodido[5-methyl-1H-benzimidazole-2(3H)-thione-κS]bis-(triphenyl-phosphane-κP)copper(I) methanol monosolvate. | Acta crystallographica. Section E, Structure reports online 20121001 |
| Estimation of σ- and π-donor properties of heterocyclic thioamides by spectroscopic and magnetic resonance methods. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20111015 |
| Flow-injection preconcentration of chloramphenicol using molecularly imprinted polymer for HPLC determination in environmental samples. | Journal of automated methods & management in chemistry 20110101 |
| New antimony(III) bromide complexes with thioamides: synthesis, characterization, and cytostatic properties. | Inorganic chemistry 20090302 |
| New benzimidazole derivatives as antimycobacterial agents. | Farmaco (Societa chimica italiana : 1989) 20020401 |
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