6-methylsulfanylcyclohex-2-en-1-one

C7H10OS — CID 13181046

IUPAC6-methylsulfanylcyclohex-2-en-1-one
SMILESCSC1CCC=CC1=O
InChIInChI=1S/C7H10OS/c1-9-7-5-3-2-4-6(7)8/h2,4,7H,3,5H2,1H3
InChIKeyKCPFDLFVACXKGP-UHFFFAOYSA-N
MW142.22 g/mol
LogP1.64
Rot. Bonds1

About 6-methylsulfanylcyclohex-2-en-1-one

6-methylsulfanylcyclohex-2-en-1-one (PubChem CID 13181046) has the molecular formula C7H10OS and a molecular weight of 142.22 g/mol. Its IUPAC name is 6-methylsulfanylcyclohex-2-en-1-one.

Molecular Properties

Compound Name6-methylsulfanylcyclohex-2-en-1-one
PubChem CID13181046
Molecular FormulaC7H10OS
Molecular Weight142.22 g/mol
Exact Mass142.05
IUPAC Name6-methylsulfanylcyclohex-2-en-1-one
SMILESCSC1CCC=CC1=O
InChIInChI=1S/C7H10OS/c1-9-7-5-3-2-4-6(7)8/h2,4,7H,3,5H2,1H3
InChIKeyKCPFDLFVACXKGP-UHFFFAOYSA-N
XLogP1.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanylcyclohex-2-en-1-one?
The IUPAC name of 6-methylsulfanylcyclohex-2-en-1-one (CID 13181046) is 6-methylsulfanylcyclohex-2-en-1-one.
What is the SMILES notation for 6-methylsulfanylcyclohex-2-en-1-one?
The canonical SMILES for 6-methylsulfanylcyclohex-2-en-1-one is CSC1CCC=CC1=O.
What is the InChIKey of 6-methylsulfanylcyclohex-2-en-1-one?
The InChIKey is KCPFDLFVACXKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OS/c1-9-7-5-3-2-4-6(7)8/h2,4,7H,3,5H2,1H3.
What are the key properties of 6-methylsulfanylcyclohex-2-en-1-one?
6-methylsulfanylcyclohex-2-en-1-one has a molecular weight of 142.22 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanylcyclohex-2-en-1-one is sourced from PubChem (CID 13181046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).