1-(2-methylsulfanylphenoxy)propan-2-one

C10H12O2S — CID 63649691

IUPAC1-(2-methylsulfanylphenoxy)propan-2-one
SMILESCSc1ccccc1OCC(C)=O
InChIInChI=1S/C10H12O2S/c1-8(11)7-12-9-5-3-4-6-10(9)13-2/h3-6H,7H2,1-2H3
InChIKeyKLMZSGMFHPEPFO-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.38
Rot. Bonds4

About 1-(2-methylsulfanylphenoxy)propan-2-one

1-(2-methylsulfanylphenoxy)propan-2-one (PubChem CID 63649691) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-(2-methylsulfanylphenoxy)propan-2-one.

Molecular Properties

Compound Name1-(2-methylsulfanylphenoxy)propan-2-one
PubChem CID63649691
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Name1-(2-methylsulfanylphenoxy)propan-2-one
SMILESCSc1ccccc1OCC(C)=O
InChIInChI=1S/C10H12O2S/c1-8(11)7-12-9-5-3-4-6-10(9)13-2/h3-6H,7H2,1-2H3
InChIKeyKLMZSGMFHPEPFO-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-3-(2-methylsulfanylphenoxy)propan-2-one
CID 107508154
1-(4-fluorophenyl)-3-(2-methylsulfanylphenoxy)propan-2-one
CID 63648016
1-(2-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanone
CID 63649687
1-cyclohexyl-2-(2-methylsulfanylphenoxy)ethanone
CID 104752083
1-(2,5-dimethylphenyl)-2-(2-methylsulfanylphenoxy)ethanone
CID 63647847
N-(4-aminophenyl)-2-(2-methylsulfanylphenoxy)acetamide
CID 63649158
methyl 3-(2-methylsulfanylphenoxy)propanoate
CID 63648637
3-(2-methylsulfanylphenoxy)propan-1-ol
CID 63648478
2-acetamido-3-(2-methylsulfanylphenoxy)propanoic acid
CID 65441415
2,2-dimethyl-4-(2-methylsulfanylphenoxy)butanoic acid
CID 65247827
methyl 2-bromo-3-(2-methylsulfanylphenoxy)propanoate
CID 81091823
[2-(2-oxopropoxy)phenyl] benzoate
CID 2142046

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylphenoxy)propan-2-one?
The IUPAC name of 1-(2-methylsulfanylphenoxy)propan-2-one (CID 63649691) is 1-(2-methylsulfanylphenoxy)propan-2-one.
What is the SMILES notation for 1-(2-methylsulfanylphenoxy)propan-2-one?
The canonical SMILES for 1-(2-methylsulfanylphenoxy)propan-2-one is CSc1ccccc1OCC(C)=O.
What is the InChIKey of 1-(2-methylsulfanylphenoxy)propan-2-one?
The InChIKey is KLMZSGMFHPEPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S/c1-8(11)7-12-9-5-3-4-6-10(9)13-2/h3-6H,7H2,1-2H3.
What are the key properties of 1-(2-methylsulfanylphenoxy)propan-2-one?
1-(2-methylsulfanylphenoxy)propan-2-one has a molecular weight of 196.27 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylphenoxy)propan-2-one is sourced from PubChem (CID 63649691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).