2-methylsulfanyl-1-phenylimidazole

C10H10N2S — CID 10352520

IUPAC2-methylsulfanyl-1-phenylimidazole
SMILESCSc1nccn1-c1ccccc1
InChIInChI=1S/C10H10N2S/c1-13-10-11-7-8-12(10)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyPVZFEMJBEUHKHX-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.59
Rot. Bonds2

About 2-methylsulfanyl-1-phenylimidazole

2-methylsulfanyl-1-phenylimidazole (PubChem CID 10352520) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 2-methylsulfanyl-1-phenylimidazole.

Molecular Properties

Compound Name2-methylsulfanyl-1-phenylimidazole
PubChem CID10352520
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name2-methylsulfanyl-1-phenylimidazole
SMILESCSc1nccn1-c1ccccc1
InChIInChI=1S/C10H10N2S/c1-13-10-11-7-8-12(10)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyPVZFEMJBEUHKHX-UHFFFAOYSA-N
XLogP2.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1-phenylimidazole?
The IUPAC name of 2-methylsulfanyl-1-phenylimidazole (CID 10352520) is 2-methylsulfanyl-1-phenylimidazole.
What is the SMILES notation for 2-methylsulfanyl-1-phenylimidazole?
The canonical SMILES for 2-methylsulfanyl-1-phenylimidazole is CSc1nccn1-c1ccccc1.
What is the InChIKey of 2-methylsulfanyl-1-phenylimidazole?
The InChIKey is PVZFEMJBEUHKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c1-13-10-11-7-8-12(10)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 2-methylsulfanyl-1-phenylimidazole?
2-methylsulfanyl-1-phenylimidazole has a molecular weight of 190.27 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1-phenylimidazole is sourced from PubChem (CID 10352520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).