1H-benzimidazole-2-thiolate;ethane;zinc

C9H11N2SZn- — CID 159834857

IUPAC1H-benzimidazole-2-thiolate;ethane;zinc
SMILESCC.[S-]c1nc2ccccc2[nH]1.[Zn]
InChIInChI=1S/C7H6N2S.C2H6.Zn/c10-7-8-5-3-1-2-4-6(5)9-7;1-2;/h1-4H,(H2,8,9,10);1-2H3;/p-1
InChIKeySWDWIODYRPBXPV-UHFFFAOYSA-M
MW244.66 g/mol
LogP2.49
Rot. Bonds

About 1H-benzimidazole-2-thiolate;ethane;zinc

1H-benzimidazole-2-thiolate;ethane;zinc (PubChem CID 159834857) has the molecular formula C9H11N2SZn- and a molecular weight of 244.66 g/mol. Its IUPAC name is 1H-benzimidazole-2-thiolate;ethane;zinc.

Molecular Properties

Compound Name1H-benzimidazole-2-thiolate;ethane;zinc
PubChem CID159834857
Molecular FormulaC9H11N2SZn-
Molecular Weight244.66 g/mol
Exact Mass242.99
IUPAC Name1H-benzimidazole-2-thiolate;ethane;zinc
SMILESCC.[S-]c1nc2ccccc2[nH]1.[Zn]
InChIInChI=1S/C7H6N2S.C2H6.Zn/c10-7-8-5-3-1-2-4-6(5)9-7;1-2;/h1-4H,(H2,8,9,10);1-2H3;/p-1
InChIKeySWDWIODYRPBXPV-UHFFFAOYSA-M
XLogP2.49
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.66
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

zinc;1H-benzimidazole-2-thiolate;2,3-dihydro-1H-benzimidazole-2-thiolate
CID 58987087
2-methyl-1H-benzimidazole
CID 11984
ethane;2-methyl-1H-benzimidazole;molecular hydrogen
CID 166167875
2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole
CID 66628016
methanamine;2-methyl-1H-benzimidazole
CID 143453689
2-[8-(1H-benzimidazol-2-ylsulfanyl)octylsulfanyl]-1H-benzimidazole
CID 13134043
2-(1-fluorocyclopropyl)-1H-benzimidazole
CID 67492250
1H-benzimidazol-2-yl(trimethyl)-λ4-sulfane
CID 123457333
2-propan-2-yl-1H-benzimidazole
CID 22121
2-methylselanyl-1H-benzimidazole
CID 583074
N,N-dimethyl-1H-benzimidazol-2-amine
CID 17846
2-phenyl-1H-benzimidazole;zinc
CID 174639851

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole-2-thiolate;ethane;zinc?
The IUPAC name of 1H-benzimidazole-2-thiolate;ethane;zinc (CID 159834857) is 1H-benzimidazole-2-thiolate;ethane;zinc.
What is the SMILES notation for 1H-benzimidazole-2-thiolate;ethane;zinc?
The canonical SMILES for 1H-benzimidazole-2-thiolate;ethane;zinc is CC.[S-]c1nc2ccccc2[nH]1.[Zn].
What is the InChIKey of 1H-benzimidazole-2-thiolate;ethane;zinc?
The InChIKey is SWDWIODYRPBXPV-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6N2S.C2H6.Zn/c10-7-8-5-3-1-2-4-6(5)9-7;1-2;/h1-4H,(H2,8,9,10);1-2H3;/p-1.
What are the key properties of 1H-benzimidazole-2-thiolate;ethane;zinc?
1H-benzimidazole-2-thiolate;ethane;zinc has a molecular weight of 244.66 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole-2-thiolate;ethane;zinc is sourced from PubChem (CID 159834857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).