1-(4-ethylsulfanylphenyl)-2-methylpropan-1-one

C12H16OS — CID 82164906

IUPAC1-(4-ethylsulfanylphenyl)-2-methylpropan-1-one
SMILESCCSc1ccc(C(=O)C(C)C)cc1
InChIInChI=1S/C12H16OS/c1-4-14-11-7-5-10(6-8-11)12(13)9(2)3/h5-9H,4H2,1-3H3
InChIKeyCFCVIUZWOCSIIQ-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.64
Rot. Bonds4

About 1-(4-ethylsulfanylphenyl)-2-methylpropan-1-one

1-(4-ethylsulfanylphenyl)-2-methylpropan-1-one (PubChem CID 82164906) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)-2-methylpropan-1-one
PubChem CID82164906
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name1-(4-ethylsulfanylphenyl)-2-methylpropan-1-one
SMILESCCSc1ccc(C(=O)C(C)C)cc1
InChIInChI=1S/C12H16OS/c1-4-14-11-7-5-10(6-8-11)12(13)9(2)3/h5-9H,4H2,1-3H3
InChIKeyCFCVIUZWOCSIIQ-UHFFFAOYSA-N
XLogP3.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hexylsulfanylphenyl)-2-methylpropan-1-one
CID 82164902
2-methyl-1-(4-prop-2-enylsulfanylphenyl)propan-1-one
CID 82164899
1-[4-(2,2-dimethoxyethylsulfanyl)phenyl]-2-methylpropan-1-one
CID 82164928
ethyl 2-(4-ethylsulfanylbenzoyl)-3-methylbutanoate
CID 106849443
tert-butyl 3-(4-ethylsulfanylphenyl)-2-methyl-3-oxopropanoate
CID 106849446
2-methyl-1-[4-[(4-propan-2-ylphenyl)methylsulfanyl]phenyl]propan-1-one
CID 94779815
3-(4-ethylsulfanylphenyl)-2-(methylamino)-3-oxopropanoic acid
CID 116924218
1-(4-ethylsulfanylphenyl)-2,2,3,3-tetrafluoropropan-1-one
CID 138756099
2-bromo-1-(4-ethylsulfanylphenyl)ethanone
CID 12862101
1-(4-ethylsulfanylphenyl)butan-1-one
CID 82052811
1-[4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2-methylpropan-1-one
CID 82164974
1-(4-ethylsulfanylphenyl)-3-propan-2-ylsulfanylpropan-1-one
CID 82052815

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)-2-methylpropan-1-one?
The IUPAC name of 1-(4-ethylsulfanylphenyl)-2-methylpropan-1-one (CID 82164906) is 1-(4-ethylsulfanylphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)-2-methylpropan-1-one is CCSc1ccc(C(=O)C(C)C)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)-2-methylpropan-1-one?
The InChIKey is CFCVIUZWOCSIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c1-4-14-11-7-5-10(6-8-11)12(13)9(2)3/h5-9H,4H2,1-3H3.
What are the key properties of 1-(4-ethylsulfanylphenyl)-2-methylpropan-1-one?
1-(4-ethylsulfanylphenyl)-2-methylpropan-1-one has a molecular weight of 208.33 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 82164906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).