2-methylsulfanyl-4,5-dihydro-1H-imidazole;sulfane

C4H10N2S2 — CID 143157442

IUPAC2-methylsulfanyl-4,5-dihydro-1H-imidazole;sulfane
SMILESCSC1=NCCN1.S
InChIInChI=1S/C4H8N2S.H2S/c1-7-4-5-2-3-6-4;/h2-3H2,1H3,(H,5,6);1H2
InChIKeyQXQDGWHKNCDOSZ-UHFFFAOYSA-N
MW150.27 g/mol
LogP0.42
Rot. Bonds

About 2-methylsulfanyl-4,5-dihydro-1H-imidazole;sulfane

2-methylsulfanyl-4,5-dihydro-1H-imidazole;sulfane (PubChem CID 143157442) has the molecular formula C4H10N2S2 and a molecular weight of 150.27 g/mol. Its IUPAC name is 2-methylsulfanyl-4,5-dihydro-1H-imidazole;sulfane.

Molecular Properties

Compound Name2-methylsulfanyl-4,5-dihydro-1H-imidazole;sulfane
PubChem CID143157442
Molecular FormulaC4H10N2S2
Molecular Weight150.27 g/mol
Exact Mass150.03
IUPAC Name2-methylsulfanyl-4,5-dihydro-1H-imidazole;sulfane
SMILESCSC1=NCCN1.S
InChIInChI=1S/C4H8N2S.H2S/c1-7-4-5-2-3-6-4;/h2-3H2,1H3,(H,5,6);1H2
InChIKeyQXQDGWHKNCDOSZ-UHFFFAOYSA-N
XLogP0.42
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methylsulfanyl-4,5-dihydro-1H-imidazole;sulfane 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 2-methylsulfanyl-4,5-dihydro-1H-imidazole;sulfane?
The IUPAC name of 2-methylsulfanyl-4,5-dihydro-1H-imidazole;sulfane (CID 143157442) is 2-methylsulfanyl-4,5-dihydro-1H-imidazole;sulfane.
What is the SMILES notation for 2-methylsulfanyl-4,5-dihydro-1H-imidazole;sulfane?
The canonical SMILES for 2-methylsulfanyl-4,5-dihydro-1H-imidazole;sulfane is CSC1=NCCN1.S.
What is the InChIKey of 2-methylsulfanyl-4,5-dihydro-1H-imidazole;sulfane?
The InChIKey is QXQDGWHKNCDOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2S.H2S/c1-7-4-5-2-3-6-4;/h2-3H2,1H3,(H,5,6);1H2.
What are the key properties of 2-methylsulfanyl-4,5-dihydro-1H-imidazole;sulfane?
2-methylsulfanyl-4,5-dihydro-1H-imidazole;sulfane has a molecular weight of 150.27 g/mol, XLogP of 0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4,5-dihydro-1H-imidazole;sulfane is sourced from PubChem (CID 143157442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).