1,3-dihydrobenzimidazole-2-thione

C7H6N2S — CID 707035

IUPAC1,3-dihydrobenzimidazole-2-thione
SMILESS=c1[nH]c2ccccc2[nH]1
InChIInChI=1S/C7H6N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)
InChIKeyYHMYGUUIMTVXNW-UHFFFAOYSA-N
MW150.21 g/mol
LogP2.23
Rot. Bonds

About 1,3-dihydrobenzimidazole-2-thione

1,3-dihydrobenzimidazole-2-thione (PubChem CID 707035) has the molecular formula C7H6N2S and a molecular weight of 150.21 g/mol. Its IUPAC name is 1,3-dihydrobenzimidazole-2-thione.

Molecular Properties

Compound Name1,3-dihydrobenzimidazole-2-thione
PubChem CID707035
Molecular FormulaC7H6N2S
Molecular Weight150.21 g/mol
Exact Mass150.03
IUPAC Name1,3-dihydrobenzimidazole-2-thione
SMILESS=c1[nH]c2ccccc2[nH]1
InChIInChI=1S/C7H6N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)
InChIKeyYHMYGUUIMTVXNW-UHFFFAOYSA-N
XLogP2.23
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydrobenzimidazole-2-thione?
The IUPAC name of 1,3-dihydrobenzimidazole-2-thione (CID 707035) is 1,3-dihydrobenzimidazole-2-thione.
What is the SMILES notation for 1,3-dihydrobenzimidazole-2-thione?
The canonical SMILES for 1,3-dihydrobenzimidazole-2-thione is S=c1[nH]c2ccccc2[nH]1.
What is the InChIKey of 1,3-dihydrobenzimidazole-2-thione?
The InChIKey is YHMYGUUIMTVXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10).
What are the key properties of 1,3-dihydrobenzimidazole-2-thione?
1,3-dihydrobenzimidazole-2-thione has a molecular weight of 150.21 g/mol, XLogP of 2.23, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydrobenzimidazole-2-thione is sourced from PubChem (CID 707035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).