2-(1-methylimidazol-2-yl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone

C13H14N2OS2 — CID 43412452

IUPAC2-(1-methylimidazol-2-yl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone
SMILESCSc1ccc(C(=O)CSc2nccn2C)cc1
InChIInChI=1S/C13H14N2OS2/c1-15-8-7-14-13(15)18-9-12(16)10-3-5-11(17-2)6-4-10/h3-8H,9H2,1-2H3
InChIKeyLIWYFSNBHVAVBP-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.12
Rot. Bonds5

About 2-(1-methylimidazol-2-yl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone

2-(1-methylimidazol-2-yl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone (PubChem CID 43412452) has the molecular formula C13H14N2OS2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone
PubChem CID43412452
Molecular FormulaC13H14N2OS2
Molecular Weight278.40 g/mol
Exact Mass278.05
IUPAC Name2-(1-methylimidazol-2-yl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone
SMILESCSc1ccc(C(=O)CSc2nccn2C)cc1
InChIInChI=1S/C13H14N2OS2/c1-15-8-7-14-13(15)18-9-12(16)10-3-5-11(17-2)6-4-10/h3-8H,9H2,1-2H3
InChIKeyLIWYFSNBHVAVBP-UHFFFAOYSA-N
XLogP3.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 724945
1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone;hydrobromide
CID 17386104
2-(1-methylimidazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 12049984
1-(3-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 43226508
N-[4-[2-(1-methylimidazol-2-yl)sulfanylacetyl]phenyl]benzamide
CID 40511037
2-(1-methylimidazol-2-yl)sulfanyl-1-(1-phenylpyrazol-4-yl)ethanone
CID 75464250
2-(1-methylimidazol-2-yl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
CID 4138789
2-(1-methylimidazol-2-yl)sulfanylacetohydrazide
CID 63580041
1-(4-methylsulfanylphenyl)-2-phenylsulfanylethanone
CID 43413317
1-(4-methylsulfanylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
CID 43412564
2-[1-(4-methylsulfanylphenyl)imidazol-2-yl]sulfanylacetic acid
CID 29063549
3-[2-(4-methylsulfanylphenyl)-2-oxoethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 60626446

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone?
The IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone (CID 43412452) is 2-(1-methylimidazol-2-yl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone?
The canonical SMILES for 2-(1-methylimidazol-2-yl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone is CSc1ccc(C(=O)CSc2nccn2C)cc1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone?
The InChIKey is LIWYFSNBHVAVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS2/c1-15-8-7-14-13(15)18-9-12(16)10-3-5-11(17-2)6-4-10/h3-8H,9H2,1-2H3.
What are the key properties of 2-(1-methylimidazol-2-yl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone?
2-(1-methylimidazol-2-yl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone has a molecular weight of 278.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 43412452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).