5,6-dichloro-3-methyl-1H-benzimidazole-2-thione

C8H6Cl2N2S — CID 3414285

IUPAC5,6-dichloro-3-methyl-1H-benzimidazole-2-thione
SMILESCn1c(=S)[nH]c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C8H6Cl2N2S/c1-12-7-3-5(10)4(9)2-6(7)11-8(12)13/h2-3H,1H3,(H,11,13)
InChIKeyHBFNHPDUEBKGDZ-UHFFFAOYSA-N
MW233.12 g/mol
LogP3.54
Rot. Bonds

About 5,6-dichloro-3-methyl-1H-benzimidazole-2-thione

5,6-dichloro-3-methyl-1H-benzimidazole-2-thione (PubChem CID 3414285) has the molecular formula C8H6Cl2N2S and a molecular weight of 233.12 g/mol. Its IUPAC name is 5,6-dichloro-3-methyl-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name5,6-dichloro-3-methyl-1H-benzimidazole-2-thione
PubChem CID3414285
Molecular FormulaC8H6Cl2N2S
Molecular Weight233.12 g/mol
Exact Mass231.96
IUPAC Name5,6-dichloro-3-methyl-1H-benzimidazole-2-thione
SMILESCn1c(=S)[nH]c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C8H6Cl2N2S/c1-12-7-3-5(10)4(9)2-6(7)11-8(12)13/h2-3H,1H3,(H,11,13)
InChIKeyHBFNHPDUEBKGDZ-UHFFFAOYSA-N
XLogP3.54
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.12
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-Benzimidazolinethione, 5-chloro-
CID 2056429
5,6-dichloro-1-ethyl-1,3-dihydro-2H-benzimidazol-2-one
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6-Chloro-5-fluorobenzimidazole-2-thiol
CID 1268248
5,6-Dichloro-1H-benzimidazole-2-thiol
CID 2774259
5-chloro-1-ethyl-1H-benzimidazole-2-thiol
CID 2744238
5-chloro-1-methyl-1H-benzo[d]imidazole-2-thiol
CID 10442740
N-(3,4-dichlorophenyl)-4-methylpiperazine-1-carbothioamide
CID 841861
5-chloro-1-propyl-1H-1,3-benzodiazole-2-thiol
CID 4868379
6-chloro-1-methyl-1H-benzo[d]imidazole-2-thiol
CID 44422596
N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carbothioamide
CID 773296
N-(3,4-dichlorophenyl)pyrrolidine-1-carbothioamide
CID 773293
5-chloro-1-isopropyl-1H-benzo[d]imidazole-2-thiol
CID 2735746

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-methyl-1H-benzimidazole-2-thione?
The IUPAC name of 5,6-dichloro-3-methyl-1H-benzimidazole-2-thione (CID 3414285) is 5,6-dichloro-3-methyl-1H-benzimidazole-2-thione.
What is the SMILES notation for 5,6-dichloro-3-methyl-1H-benzimidazole-2-thione?
The canonical SMILES for 5,6-dichloro-3-methyl-1H-benzimidazole-2-thione is Cn1c(=S)[nH]c2cc(Cl)c(Cl)cc21.
What is the InChIKey of 5,6-dichloro-3-methyl-1H-benzimidazole-2-thione?
The InChIKey is HBFNHPDUEBKGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N2S/c1-12-7-3-5(10)4(9)2-6(7)11-8(12)13/h2-3H,1H3,(H,11,13).
What are the key properties of 5,6-dichloro-3-methyl-1H-benzimidazole-2-thione?
5,6-dichloro-3-methyl-1H-benzimidazole-2-thione has a molecular weight of 233.12 g/mol, XLogP of 3.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-methyl-1H-benzimidazole-2-thione is sourced from PubChem (CID 3414285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).