3-methyl-2-methylsulfanylcyclopentan-1-one

C7H12OS — CID 12861274

IUPAC3-methyl-2-methylsulfanylcyclopentan-1-one
SMILESCSC1C(=O)CCC1C
InChIInChI=1S/C7H12OS/c1-5-3-4-6(8)7(5)9-2/h5,7H,3-4H2,1-2H3
InChIKeyJLQUWZLHFYNTAP-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.72
Rot. Bonds1

About 3-methyl-2-methylsulfanylcyclopentan-1-one

3-methyl-2-methylsulfanylcyclopentan-1-one (PubChem CID 12861274) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 3-methyl-2-methylsulfanylcyclopentan-1-one.

Molecular Properties

Compound Name3-methyl-2-methylsulfanylcyclopentan-1-one
PubChem CID12861274
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name3-methyl-2-methylsulfanylcyclopentan-1-one
SMILESCSC1C(=O)CCC1C
InChIInChI=1S/C7H12OS/c1-5-3-4-6(8)7(5)9-2/h5,7H,3-4H2,1-2H3
InChIKeyJLQUWZLHFYNTAP-UHFFFAOYSA-N
XLogP1.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(Propan-2-yl)thiolan-3-one
CID 588909
S-ethyl 2-oxocyclopentanecarbothioate
CID 12503047
2-[Bis(methylsulfanyl)methyl]cyclopentan-1-one
CID 13515901
2-(Methylthiomethyl)cyclopentan-1-one
CID 70257318
S-methyl cyclopentanecarbothioate
CID 87937935
3-Methyl-3-methylsulfanylcyclopentan-1-one
CID 59203496
1-(Thian-3-yl)ethanone
CID 82594555
(4S)-3-ethylsulfanyl-4-methylhexan-2-one
CID 140159014
(4S)-4-methyl-3-propan-2-ylsulfanylhexan-2-one
CID 140159023
(4S)-4-methyl-3-propylsulfanylhexan-2-one
CID 140159032
(4S)-4-methyl-3-methylsulfanylhexan-2-one
CID 140159033
6-Ethylsulfanyl-3-methylhexan-2-one
CID 12668624

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylsulfanylcyclopentan-1-one?
The IUPAC name of 3-methyl-2-methylsulfanylcyclopentan-1-one (CID 12861274) is 3-methyl-2-methylsulfanylcyclopentan-1-one.
What is the SMILES notation for 3-methyl-2-methylsulfanylcyclopentan-1-one?
The canonical SMILES for 3-methyl-2-methylsulfanylcyclopentan-1-one is CSC1C(=O)CCC1C.
What is the InChIKey of 3-methyl-2-methylsulfanylcyclopentan-1-one?
The InChIKey is JLQUWZLHFYNTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-5-3-4-6(8)7(5)9-2/h5,7H,3-4H2,1-2H3.
What are the key properties of 3-methyl-2-methylsulfanylcyclopentan-1-one?
3-methyl-2-methylsulfanylcyclopentan-1-one has a molecular weight of 144.24 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylsulfanylcyclopentan-1-one is sourced from PubChem (CID 12861274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).