4-methyl-1,3-dihydrobenzimidazole-2-thione;zinc

C8H8N2SZn — CID 57358321

IUPAC4-methyl-1,3-dihydrobenzimidazole-2-thione;zinc
SMILESCc1cccc2[nH]c(=S)[nH]c12.[Zn]
InChIInChI=1S/C8H8N2S.Zn/c1-5-3-2-4-6-7(5)10-8(11)9-6;/h2-4H,1H3,(H2,9,10,11);
InChIKeyLIVZWWLQNHAXBN-UHFFFAOYSA-N
MW229.62 g/mol
LogP2.53
Rot. Bonds

About 4-methyl-1,3-dihydrobenzimidazole-2-thione;zinc

4-methyl-1,3-dihydrobenzimidazole-2-thione;zinc (PubChem CID 57358321) has the molecular formula C8H8N2SZn and a molecular weight of 229.62 g/mol. Its IUPAC name is 4-methyl-1,3-dihydrobenzimidazole-2-thione;zinc.

Molecular Properties

Compound Name4-methyl-1,3-dihydrobenzimidazole-2-thione;zinc
PubChem CID57358321
Molecular FormulaC8H8N2SZn
Molecular Weight229.62 g/mol
Exact Mass227.97
IUPAC Name4-methyl-1,3-dihydrobenzimidazole-2-thione;zinc
SMILESCc1cccc2[nH]c(=S)[nH]c12.[Zn]
InChIInChI=1S/C8H8N2S.Zn/c1-5-3-2-4-6-7(5)10-8(11)9-6;/h2-4H,1H3,(H2,9,10,11);
InChIKeyLIVZWWLQNHAXBN-UHFFFAOYSA-N
XLogP2.53
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.62
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 707035
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Thiourea, (3-methylphenyl)-
CID 701727
1-Methyl-1H-benzimidazole-2-thiol
CID 1522244
1,3-Dihydro-2H-naphth(2,3-d)imidazole-2-thione
CID 935396
5-Methylbenzimidazolone
CID 223134
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CID 3000236
1-Ethyl-1H-benzimidazole-2-thiol
CID 755555
2H-Benzimidazole-2-thione, 1,3-dihydro-5-methyl-
CID 712373
6,6'-methylenebis(1H-benzimidazole-2-thiol)
CID 802901
1,3-Dihydro-1-(1-methylethyl)-5-(trifluoromethyl)-2H-benzimidazole-2-thione
CID 2747503

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-dihydrobenzimidazole-2-thione;zinc?
The IUPAC name of 4-methyl-1,3-dihydrobenzimidazole-2-thione;zinc (CID 57358321) is 4-methyl-1,3-dihydrobenzimidazole-2-thione;zinc.
What is the SMILES notation for 4-methyl-1,3-dihydrobenzimidazole-2-thione;zinc?
The canonical SMILES for 4-methyl-1,3-dihydrobenzimidazole-2-thione;zinc is Cc1cccc2[nH]c(=S)[nH]c12.[Zn].
What is the InChIKey of 4-methyl-1,3-dihydrobenzimidazole-2-thione;zinc?
The InChIKey is LIVZWWLQNHAXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S.Zn/c1-5-3-2-4-6-7(5)10-8(11)9-6;/h2-4H,1H3,(H2,9,10,11);.
What are the key properties of 4-methyl-1,3-dihydrobenzimidazole-2-thione;zinc?
4-methyl-1,3-dihydrobenzimidazole-2-thione;zinc has a molecular weight of 229.62 g/mol, XLogP of 2.53, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-dihydrobenzimidazole-2-thione;zinc is sourced from PubChem (CID 57358321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).