zinc bis(1H-benzimidazole-2-thiolate)

C14H10N4S2Zn — CID 504560

IUPACzinc bis(1H-benzimidazole-2-thiolate)
SMILES[S-]c1nc2ccccc2[nH]1.[S-]c1nc2ccccc2[nH]1.[Zn+2]
InChIInChI=1S/2C7H6N2S.Zn/c2*10-7-8-5-3-1-2-4-6(5)9-7;/h2*1-4H,(H2,8,9,10);/q;;+2/p-2
InChIKeyHQYFKBJJJHDINU-UHFFFAOYSA-L
MW363.79 g/mol
LogP2.93
Rot. Bonds

About zinc bis(1H-benzimidazole-2-thiolate)

zinc bis(1H-benzimidazole-2-thiolate) (PubChem CID 504560) has the molecular formula C14H10N4S2Zn and a molecular weight of 363.79 g/mol. Its IUPAC name is zinc bis(1H-benzimidazole-2-thiolate).

Molecular Properties

Compound Namezinc bis(1H-benzimidazole-2-thiolate)
PubChem CID504560
Molecular FormulaC14H10N4S2Zn
Molecular Weight363.79 g/mol
Exact Mass361.96
IUPAC Namezinc bis(1H-benzimidazole-2-thiolate)
SMILES[S-]c1nc2ccccc2[nH]1.[S-]c1nc2ccccc2[nH]1.[Zn+2]
InChIInChI=1S/2C7H6N2S.Zn/c2*10-7-8-5-3-1-2-4-6(5)9-7;/h2*1-4H,(H2,8,9,10);/q;;+2/p-2
InChIKeyHQYFKBJJJHDINU-UHFFFAOYSA-L
XLogP2.93
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.79
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

2-Aminobenzimidazole
CID 13624
2-Methylbenzimidazole
CID 11984
2-Phenylbenzimidazole
CID 12855
2-(Methylthio)benzimidazole
CID 23539
Benzimidazole, 2-butyl-
CID 22122
2-Ethylbenzimidazole
CID 15807
1H-Benzimidazole-2-methanamine
CID 145820
2-tert-Butylbenzimidazole
CID 32366
1H-1,3-benzodiazole-2-sulfonamide
CID 228459
2-Chlorobenzimidazole
CID 78572
Chitinase
CID 50921533
1H-Benzimidazole-2-sulfonic acid
CID 1572160

Frequently Asked Questions

What is the IUPAC name of zinc bis(1H-benzimidazole-2-thiolate)?
The IUPAC name of zinc bis(1H-benzimidazole-2-thiolate) (CID 504560) is zinc bis(1H-benzimidazole-2-thiolate).
What is the SMILES notation for zinc bis(1H-benzimidazole-2-thiolate)?
The canonical SMILES for zinc bis(1H-benzimidazole-2-thiolate) is [S-]c1nc2ccccc2[nH]1.[S-]c1nc2ccccc2[nH]1.[Zn+2].
What is the InChIKey of zinc bis(1H-benzimidazole-2-thiolate)?
The InChIKey is HQYFKBJJJHDINU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H6N2S.Zn/c2*10-7-8-5-3-1-2-4-6(5)9-7;/h2*1-4H,(H2,8,9,10);/q;;+2/p-2.
What are the key properties of zinc bis(1H-benzimidazole-2-thiolate)?
zinc bis(1H-benzimidazole-2-thiolate) has a molecular weight of 363.79 g/mol, XLogP of 2.93, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(1H-benzimidazole-2-thiolate) is sourced from PubChem (CID 504560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).