2-methyl-2-phenylsulfanylcyclobutan-1-one

C11H12OS — CID 12716173

IUPAC2-methyl-2-phenylsulfanylcyclobutan-1-one
SMILESCC1(Sc2ccccc2)CCC1=O
InChIInChI=1S/C11H12OS/c1-11(8-7-10(11)12)13-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyLFPBVJOPJAGCEB-UHFFFAOYSA-N
MW192.28 g/mol
LogP2.90
Rot. Bonds2

About 2-methyl-2-phenylsulfanylcyclobutan-1-one

2-methyl-2-phenylsulfanylcyclobutan-1-one (PubChem CID 12716173) has the molecular formula C11H12OS and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-methyl-2-phenylsulfanylcyclobutan-1-one.

Molecular Properties

Compound Name2-methyl-2-phenylsulfanylcyclobutan-1-one
PubChem CID12716173
Molecular FormulaC11H12OS
Molecular Weight192.28 g/mol
Exact Mass192.06
IUPAC Name2-methyl-2-phenylsulfanylcyclobutan-1-one
SMILESCC1(Sc2ccccc2)CCC1=O
InChIInChI=1S/C11H12OS/c1-11(8-7-10(11)12)13-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyLFPBVJOPJAGCEB-UHFFFAOYSA-N
XLogP2.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethanethioic acid, S-phenyl ester
CID 13630
3-Phenylthiopropan-2-one
CID 247129
S-Phenyl thioisobutyrate
CID 11105960
S-(4-fluorophenyl) thiopivalate
CID 89113248
2-Methyl-3-(phenylsulfanyl)cyclopentan-1-one
CID 64904469
4-(Phenylsulfanyl)butan-2-one
CID 239872
S-phenyl propanethioate
CID 4327889
3,4,4-Trifluoro-4-phenylsulfanylbutan-2-one
CID 13492164
1,1,2-Trifluoro-1-(phenylsulfanyl)pentan-3-one
CID 13492166
(E)-1,2-difluoro-1-phenylsulfanylpent-1-en-3-one
CID 70425363
3-Methyl-1-phenylsulfanyl-butan-2-one
CID 551265
Cyclopentanone, 2-(phenylthio)-
CID 586052

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenylsulfanylcyclobutan-1-one?
The IUPAC name of 2-methyl-2-phenylsulfanylcyclobutan-1-one (CID 12716173) is 2-methyl-2-phenylsulfanylcyclobutan-1-one.
What is the SMILES notation for 2-methyl-2-phenylsulfanylcyclobutan-1-one?
The canonical SMILES for 2-methyl-2-phenylsulfanylcyclobutan-1-one is CC1(Sc2ccccc2)CCC1=O.
What is the InChIKey of 2-methyl-2-phenylsulfanylcyclobutan-1-one?
The InChIKey is LFPBVJOPJAGCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OS/c1-11(8-7-10(11)12)13-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of 2-methyl-2-phenylsulfanylcyclobutan-1-one?
2-methyl-2-phenylsulfanylcyclobutan-1-one has a molecular weight of 192.28 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenylsulfanylcyclobutan-1-one is sourced from PubChem (CID 12716173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).