(2S)-2-(4-methylphenyl)sulfanylcyclobutan-1-one

C11H12OS — CID 129404634

IUPAC(2S)-2-(4-methylphenyl)sulfanylcyclobutan-1-one
SMILESCc1ccc(S[C@H]2CCC2=O)cc1
InChIInChI=1S/C11H12OS/c1-8-2-4-9(5-3-8)13-11-7-6-10(11)12/h2-5,11H,6-7H2,1H3/t11-/m0/s1
InChIKeyANCPUAZZBBEDFH-NSHDSACASA-N
MW192.28 g/mol
LogP2.82
Rot. Bonds2

About (2S)-2-(4-methylphenyl)sulfanylcyclobutan-1-one

(2S)-2-(4-methylphenyl)sulfanylcyclobutan-1-one (PubChem CID 129404634) has the molecular formula C11H12OS and a molecular weight of 192.28 g/mol. Its IUPAC name is (2S)-2-(4-methylphenyl)sulfanylcyclobutan-1-one.

Molecular Properties

Compound Name(2S)-2-(4-methylphenyl)sulfanylcyclobutan-1-one
PubChem CID129404634
Molecular FormulaC11H12OS
Molecular Weight192.28 g/mol
Exact Mass192.06
IUPAC Name(2S)-2-(4-methylphenyl)sulfanylcyclobutan-1-one
SMILESCc1ccc(S[C@H]2CCC2=O)cc1
InChIInChI=1S/C11H12OS/c1-8-2-4-9(5-3-8)13-11-7-6-10(11)12/h2-5,11H,6-7H2,1H3/t11-/m0/s1
InChIKeyANCPUAZZBBEDFH-NSHDSACASA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylphenyl)sulfanylcyclobutan-1-one?
The IUPAC name of (2S)-2-(4-methylphenyl)sulfanylcyclobutan-1-one (CID 129404634) is (2S)-2-(4-methylphenyl)sulfanylcyclobutan-1-one.
What is the SMILES notation for (2S)-2-(4-methylphenyl)sulfanylcyclobutan-1-one?
The canonical SMILES for (2S)-2-(4-methylphenyl)sulfanylcyclobutan-1-one is Cc1ccc(S[C@H]2CCC2=O)cc1.
What is the InChIKey of (2S)-2-(4-methylphenyl)sulfanylcyclobutan-1-one?
The InChIKey is ANCPUAZZBBEDFH-NSHDSACASA-N. The full InChI is InChI=1S/C11H12OS/c1-8-2-4-9(5-3-8)13-11-7-6-10(11)12/h2-5,11H,6-7H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-(4-methylphenyl)sulfanylcyclobutan-1-one?
(2S)-2-(4-methylphenyl)sulfanylcyclobutan-1-one has a molecular weight of 192.28 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylphenyl)sulfanylcyclobutan-1-one is sourced from PubChem (CID 129404634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).