(2R)-2-methylsulfanyl-2-methylsulfinyl-1-phenylethanone

C10H12O2S2 — CID 100950830

IUPAC(2R)-2-methylsulfanyl-2-methylsulfinyl-1-phenylethanone
SMILESCS[C@@H](C(=O)c1ccccc1)S(C)=O
InChIInChI=1S/C10H12O2S2/c1-13-10(14(2)12)9(11)8-6-4-3-5-7-8/h3-7,10H,1-2H3/t10-,14?/m1/s1
InChIKeyWVTFEQAHXJPQSS-IAPIXIRKSA-N
MW228.34 g/mol
LogP1.94
Rot. Bonds4

About (2R)-2-methylsulfanyl-2-methylsulfinyl-1-phenylethanone

(2R)-2-methylsulfanyl-2-methylsulfinyl-1-phenylethanone (PubChem CID 100950830) has the molecular formula C10H12O2S2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2R)-2-methylsulfanyl-2-methylsulfinyl-1-phenylethanone.

Molecular Properties

Compound Name(2R)-2-methylsulfanyl-2-methylsulfinyl-1-phenylethanone
PubChem CID100950830
Molecular FormulaC10H12O2S2
Molecular Weight228.34 g/mol
Exact Mass228.03
IUPAC Name(2R)-2-methylsulfanyl-2-methylsulfinyl-1-phenylethanone
SMILESCS[C@@H](C(=O)c1ccccc1)S(C)=O
InChIInChI=1S/C10H12O2S2/c1-13-10(14(2)12)9(11)8-6-4-3-5-7-8/h3-7,10H,1-2H3/t10-,14?/m1/s1
InChIKeyWVTFEQAHXJPQSS-IAPIXIRKSA-N
XLogP1.94
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylsulfanylmethyl)-1,3-diphenylpropane-1,3-dione
CID 12815430
2,2-bis(ethylsulfanyl)-1-phenylethanone
CID 12815307
2,3-dibenzoyl-1,4-diphenylbutane-1,4-dione
CID 4277936
(2S)-2-methyl-3-oxo-3-phenylpropanal
CID 93475619
1-phenyl-2-propan-2-ylsulfanylpropan-1-one
CID 60885385
2-(dimethoxymethyl)-1,3-diphenylpropane-1,3-dione
CID 641430
2-[(1-oxo-1-phenylpropan-2-yl)tetrasulfanyl]-1-phenylpropan-1-one
CID 101130768
2-butan-2-ylsulfinyl-1-phenylpropan-1-one
CID 64640065
methyl 2-cyano-3-oxo-N,3-diphenylpropanimidothioate
CID 123239608
ethane;2-methyl-3-oxo-3-phenylpropanenitrile
CID 90994188
S-(1-oxo-1-phenylpropan-2-yl) ethanethioate
CID 121219980
2-benzoylpropane-1,3-disulfinic acid
CID 175475699

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methylsulfanyl-2-methylsulfinyl-1-phenylethanone?
The IUPAC name of (2R)-2-methylsulfanyl-2-methylsulfinyl-1-phenylethanone (CID 100950830) is (2R)-2-methylsulfanyl-2-methylsulfinyl-1-phenylethanone.
What is the SMILES notation for (2R)-2-methylsulfanyl-2-methylsulfinyl-1-phenylethanone?
The canonical SMILES for (2R)-2-methylsulfanyl-2-methylsulfinyl-1-phenylethanone is CS[C@@H](C(=O)c1ccccc1)S(C)=O.
What is the InChIKey of (2R)-2-methylsulfanyl-2-methylsulfinyl-1-phenylethanone?
The InChIKey is WVTFEQAHXJPQSS-IAPIXIRKSA-N. The full InChI is InChI=1S/C10H12O2S2/c1-13-10(14(2)12)9(11)8-6-4-3-5-7-8/h3-7,10H,1-2H3/t10-,14?/m1/s1.
What are the key properties of (2R)-2-methylsulfanyl-2-methylsulfinyl-1-phenylethanone?
(2R)-2-methylsulfanyl-2-methylsulfinyl-1-phenylethanone has a molecular weight of 228.34 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methylsulfanyl-2-methylsulfinyl-1-phenylethanone is sourced from PubChem (CID 100950830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).