2-ethylsulfanylcyclohepta[d]imidazole

C10H10N2S — CID 71372230

IUPAC2-ethylsulfanylcyclohepta[d]imidazole
SMILESCCSc1nc2cccccc-2n1
InChIInChI=1S/C10H10N2S/c1-2-13-10-11-8-6-4-3-5-7-9(8)12-10/h3-7H,2H2,1H3
InChIKeyYVDDTRAUFIQHNV-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.69
Rot. Bonds2

About 2-ethylsulfanylcyclohepta[d]imidazole

2-ethylsulfanylcyclohepta[d]imidazole (PubChem CID 71372230) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 2-ethylsulfanylcyclohepta[d]imidazole.

Molecular Properties

Compound Name2-ethylsulfanylcyclohepta[d]imidazole
PubChem CID71372230
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name2-ethylsulfanylcyclohepta[d]imidazole
SMILESCCSc1nc2cccccc-2n1
InChIInChI=1S/C10H10N2S/c1-2-13-10-11-8-6-4-3-5-7-9(8)12-10/h3-7H,2H2,1H3
InChIKeyYVDDTRAUFIQHNV-UHFFFAOYSA-N
XLogP2.69
TPSA25.78 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 ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanylcyclohepta[d]imidazole?
The IUPAC name of 2-ethylsulfanylcyclohepta[d]imidazole (CID 71372230) is 2-ethylsulfanylcyclohepta[d]imidazole.
What is the SMILES notation for 2-ethylsulfanylcyclohepta[d]imidazole?
The canonical SMILES for 2-ethylsulfanylcyclohepta[d]imidazole is CCSc1nc2cccccc-2n1.
What is the InChIKey of 2-ethylsulfanylcyclohepta[d]imidazole?
The InChIKey is YVDDTRAUFIQHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c1-2-13-10-11-8-6-4-3-5-7-9(8)12-10/h3-7H,2H2,1H3.
What are the key properties of 2-ethylsulfanylcyclohepta[d]imidazole?
2-ethylsulfanylcyclohepta[d]imidazole has a molecular weight of 190.27 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanylcyclohepta[d]imidazole is sourced from PubChem (CID 71372230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).