zinc 3-methyl-1H-benzimidazole-2-thione

C8H8N2SZn+2 — CID 18320450

IUPACzinc 3-methyl-1H-benzimidazole-2-thione
SMILESCn1c(=S)[nH]c2ccccc21.[Zn+2]
InChIInChI=1S/C8H8N2S.Zn/c1-10-7-5-3-2-4-6(7)9-8(10)11;/h2-5H,1H3,(H,9,11);/q;+2
InChIKeyYNOOGNMVGLEPJH-UHFFFAOYSA-N
MW229.62 g/mol
LogP2.23
Rot. Bonds

About zinc 3-methyl-1H-benzimidazole-2-thione

zinc 3-methyl-1H-benzimidazole-2-thione (PubChem CID 18320450) has the molecular formula C8H8N2SZn+2 and a molecular weight of 229.62 g/mol. Its IUPAC name is zinc 3-methyl-1H-benzimidazole-2-thione.

Molecular Properties

Compound Namezinc 3-methyl-1H-benzimidazole-2-thione
PubChem CID18320450
Molecular FormulaC8H8N2SZn+2
Molecular Weight229.62 g/mol
Exact Mass227.97
IUPAC Namezinc 3-methyl-1H-benzimidazole-2-thione
SMILESCn1c(=S)[nH]c2ccccc21.[Zn+2]
InChIInChI=1S/C8H8N2S.Zn/c1-10-7-5-3-2-4-6(7)9-8(10)11;/h2-5H,1H3,(H,9,11);/q;+2
InChIKeyYNOOGNMVGLEPJH-UHFFFAOYSA-N
XLogP2.23
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.62
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-(3-methylbutyl)-1H-benzimidazole-2-thione
CID 950656
3-sulfanyl-1H-benzimidazole-2-thione
CID 141193397
3-(3-phenylbutyl)-1H-benzimidazole-2-thione
CID 63545140
3-methylsulfonyl-1H-benzimidazole-2-thione
CID 70260135
3-(2,6-dimethylphenyl)-1H-benzimidazole-2-thione
CID 82088501
3-[1-(1-methylpyrazol-4-yl)ethyl]-1H-benzimidazole-2-thione
CID 114286375
ethyl 1-methyl-2-sulfanylidene-3H-benzimidazole-5-carboxylate
CID 20813308
3-(4-propan-2-yloxybutyl)-1H-benzimidazole-2-thione
CID 106005792
3-(2,4,4-trimethylpentan-2-yl)-1H-benzimidazole-2-thione
CID 55222079
3-(3-aminopropyl)-1H-benzimidazole-2-thione
CID 83417654
3-(2-sulfanylidene-3H-benzimidazol-1-yl)propanenitrile
CID 2809686
N-(2-sulfanylidene-3H-benzimidazol-1-yl)acetamide
CID 3005403

Frequently Asked Questions

What is the IUPAC name of zinc 3-methyl-1H-benzimidazole-2-thione?
The IUPAC name of zinc 3-methyl-1H-benzimidazole-2-thione (CID 18320450) is zinc 3-methyl-1H-benzimidazole-2-thione.
What is the SMILES notation for zinc 3-methyl-1H-benzimidazole-2-thione?
The canonical SMILES for zinc 3-methyl-1H-benzimidazole-2-thione is Cn1c(=S)[nH]c2ccccc21.[Zn+2].
What is the InChIKey of zinc 3-methyl-1H-benzimidazole-2-thione?
The InChIKey is YNOOGNMVGLEPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S.Zn/c1-10-7-5-3-2-4-6(7)9-8(10)11;/h2-5H,1H3,(H,9,11);/q;+2.
What are the key properties of zinc 3-methyl-1H-benzimidazole-2-thione?
zinc 3-methyl-1H-benzimidazole-2-thione has a molecular weight of 229.62 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 3-methyl-1H-benzimidazole-2-thione is sourced from PubChem (CID 18320450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).