1-(4-methylphenyl)-2-propan-2-ylsulfanylethanone

C12H16OS — CID 60885588

IUPAC1-(4-methylphenyl)-2-propan-2-ylsulfanylethanone
SMILESCc1ccc(C(=O)CSC(C)C)cc1
InChIInChI=1S/C12H16OS/c1-9(2)14-8-12(13)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3
InChIKeyJYDBCCGPCPRXTD-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.32
Rot. Bonds4

About 1-(4-methylphenyl)-2-propan-2-ylsulfanylethanone

1-(4-methylphenyl)-2-propan-2-ylsulfanylethanone (PubChem CID 60885588) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-propan-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-propan-2-ylsulfanylethanone
PubChem CID60885588
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name1-(4-methylphenyl)-2-propan-2-ylsulfanylethanone
SMILESCc1ccc(C(=O)CSC(C)C)cc1
InChIInChI=1S/C12H16OS/c1-9(2)14-8-12(13)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3
InChIKeyJYDBCCGPCPRXTD-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylphenyl)-2-propan-2-ylsulfanylethanone
CID 65134221
1-[4-(dimethylamino)phenyl]-2-propan-2-ylsulfanylethanone
CID 58668117
1-(4-methylphenyl)-3-propan-2-ylsulfanylpropan-2-one
CID 65134686
1-[4-[(3-methylphenyl)methoxy]phenyl]-2-propan-2-ylsulfanylethanone
CID 82051791
1-(3,4-dimethoxyphenyl)-2-propan-2-ylsulfanylethanone
CID 65134393
2-(2,5-dimethylphenyl)sulfanyl-1-(4-methylphenyl)ethanone
CID 43413759
3-amino-1-(4-methylphenyl)butan-1-one
CID 55254036
2-butan-2-ylsulfanyl-1-(4-iodophenyl)ethanone
CID 43218779
1-[5-methyl-2-(2-methylpropoxy)phenyl]-2-propan-2-ylsulfanylethanone
CID 82052022
N-[4-(2-aminoacetyl)phenyl]-2-propan-2-ylsulfanylacetamide
CID 170860689
4-[[2-(4-methylphenyl)-2-oxoethyl]sulfanylmethyl]benzoic acid
CID 82178483
2-ethoxy-5-(2-propan-2-ylsulfanylacetyl)benzoic acid
CID 82052368

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-propan-2-ylsulfanylethanone?
The IUPAC name of 1-(4-methylphenyl)-2-propan-2-ylsulfanylethanone (CID 60885588) is 1-(4-methylphenyl)-2-propan-2-ylsulfanylethanone.
What is the SMILES notation for 1-(4-methylphenyl)-2-propan-2-ylsulfanylethanone?
The canonical SMILES for 1-(4-methylphenyl)-2-propan-2-ylsulfanylethanone is Cc1ccc(C(=O)CSC(C)C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-propan-2-ylsulfanylethanone?
The InChIKey is JYDBCCGPCPRXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c1-9(2)14-8-12(13)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)-2-propan-2-ylsulfanylethanone?
1-(4-methylphenyl)-2-propan-2-ylsulfanylethanone has a molecular weight of 208.33 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-propan-2-ylsulfanylethanone is sourced from PubChem (CID 60885588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).