2-methyl-1-(2-methylsulfanylphenyl)propan-1-one

C11H14OS — CID 19361702

IUPAC2-methyl-1-(2-methylsulfanylphenyl)propan-1-one
SMILESCSc1ccccc1C(=O)C(C)C
InChIInChI=1S/C11H14OS/c1-8(2)11(12)9-6-4-5-7-10(9)13-3/h4-8H,1-3H3
InChIKeyFYFHJVCOUXFFFL-UHFFFAOYSA-N
MW194.30 g/mol
LogP3.25
Rot. Bonds3

About 2-methyl-1-(2-methylsulfanylphenyl)propan-1-one

2-methyl-1-(2-methylsulfanylphenyl)propan-1-one (PubChem CID 19361702) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-methyl-1-(2-methylsulfanylphenyl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-methylsulfanylphenyl)propan-1-one
PubChem CID19361702
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name2-methyl-1-(2-methylsulfanylphenyl)propan-1-one
SMILESCSc1ccccc1C(=O)C(C)C
InChIInChI=1S/C11H14OS/c1-8(2)11(12)9-6-4-5-7-10(9)13-3/h4-8H,1-3H3
InChIKeyFYFHJVCOUXFFFL-UHFFFAOYSA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylsulfanylbenzoate
CID 6932478
(2-methylsulfanylphenyl)-phenylmethanone
CID 14145188
(2-methylsulfanylphenyl)-(2-propan-2-yloxyphenyl)methanone
CID 115788569
3-(2-methylsulfanylphenyl)-3-oxo-2-phenylpropanenitrile
CID 113224931
2-(2-methylsulfanylbenzoyl)butanenitrile
CID 79214594
2-bromo-1-(2-methylsulfanylphenyl)ethanone
CID 22462171
2-[2-(2-methylpropanoyl)phenyl]benzoic acid
CID 21063785
2,5-bis(2-methylsulfanylbenzoyl)terephthalic acid
CID 23586491
methyl 2-(2-methylsulfanylphenyl)-2-oxoacetate
CID 14145191
cyclopropyl-(2-methylsulfanylphenyl)methanone
CID 24724093
2-(4-fluorophenyl)-3-(2-methylsulfanylphenyl)-3-oxopropanenitrile
CID 79215749
N-[(2R)-1-aminopropan-2-yl]-2-methylsulfanylbenzamide
CID 104873008

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylsulfanylphenyl)propan-1-one?
The IUPAC name of 2-methyl-1-(2-methylsulfanylphenyl)propan-1-one (CID 19361702) is 2-methyl-1-(2-methylsulfanylphenyl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(2-methylsulfanylphenyl)propan-1-one?
The canonical SMILES for 2-methyl-1-(2-methylsulfanylphenyl)propan-1-one is CSc1ccccc1C(=O)C(C)C.
What is the InChIKey of 2-methyl-1-(2-methylsulfanylphenyl)propan-1-one?
The InChIKey is FYFHJVCOUXFFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-8(2)11(12)9-6-4-5-7-10(9)13-3/h4-8H,1-3H3.
What are the key properties of 2-methyl-1-(2-methylsulfanylphenyl)propan-1-one?
2-methyl-1-(2-methylsulfanylphenyl)propan-1-one has a molecular weight of 194.30 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylsulfanylphenyl)propan-1-one is sourced from PubChem (CID 19361702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).