6-ethoxy-3-methyl-1H-benzimidazole-2-thione

C10H12N2OS — CID 760266

IUPAC6-ethoxy-3-methyl-1H-benzimidazole-2-thione
SMILESCCOc1ccc2c(c1)[nH]c(=S)n2C
InChIInChI=1S/C10H12N2OS/c1-3-13-7-4-5-9-8(6-7)11-10(14)12(9)2/h4-6H,3H2,1-2H3,(H,11,14)
InChIKeySZEWQQWMTCUMEJ-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.63
Rot. Bonds2

About 6-ethoxy-3-methyl-1H-benzimidazole-2-thione

6-ethoxy-3-methyl-1H-benzimidazole-2-thione (PubChem CID 760266) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 6-ethoxy-3-methyl-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name6-ethoxy-3-methyl-1H-benzimidazole-2-thione
PubChem CID760266
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name6-ethoxy-3-methyl-1H-benzimidazole-2-thione
SMILESCCOc1ccc2c(c1)[nH]c(=S)n2C
InChIInChI=1S/C10H12N2OS/c1-3-13-7-4-5-9-8(6-7)11-10(14)12(9)2/h4-6H,3H2,1-2H3,(H,11,14)
InChIKeySZEWQQWMTCUMEJ-UHFFFAOYSA-N
XLogP2.63
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-ethoxy-3-methyl-1H-benzimidazole-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-methyl-1H-benzimidazole-2-thione?
The IUPAC name of 6-ethoxy-3-methyl-1H-benzimidazole-2-thione (CID 760266) is 6-ethoxy-3-methyl-1H-benzimidazole-2-thione.
What is the SMILES notation for 6-ethoxy-3-methyl-1H-benzimidazole-2-thione?
The canonical SMILES for 6-ethoxy-3-methyl-1H-benzimidazole-2-thione is CCOc1ccc2c(c1)[nH]c(=S)n2C.
What is the InChIKey of 6-ethoxy-3-methyl-1H-benzimidazole-2-thione?
The InChIKey is SZEWQQWMTCUMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-3-13-7-4-5-9-8(6-7)11-10(14)12(9)2/h4-6H,3H2,1-2H3,(H,11,14).
What are the key properties of 6-ethoxy-3-methyl-1H-benzimidazole-2-thione?
6-ethoxy-3-methyl-1H-benzimidazole-2-thione has a molecular weight of 208.29 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-methyl-1H-benzimidazole-2-thione is sourced from PubChem (CID 760266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).