2-methyl-2-methylsulfanyl-1-phenylpropan-1-one

C11H14OS — CID 19001344

IUPAC2-methyl-2-methylsulfanyl-1-phenylpropan-1-one
SMILESCSC(C)(C)C(=O)c1ccccc1
InChIInChI=1S/C11H14OS/c1-11(2,13-3)10(12)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyNXCUERZWSLYLCF-UHFFFAOYSA-N
MW194.30 g/mol
LogP3.01
Rot. Bonds3

About 2-methyl-2-methylsulfanyl-1-phenylpropan-1-one

2-methyl-2-methylsulfanyl-1-phenylpropan-1-one (PubChem CID 19001344) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-methyl-2-methylsulfanyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-methyl-2-methylsulfanyl-1-phenylpropan-1-one
PubChem CID19001344
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name2-methyl-2-methylsulfanyl-1-phenylpropan-1-one
SMILESCSC(C)(C)C(=O)c1ccccc1
InChIInChI=1S/C11H14OS/c1-11(2,13-3)10(12)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyNXCUERZWSLYLCF-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane
CID 70599278
2-methyl-2-methylsulfanyl-1-thiophen-3-ylpropan-1-one
CID 130648516
ethane;2,2,2-tribromo-1-phenylethanone
CID 159508588
(2R)-2-hydroxy-2-methyl-3-oxo-3-phenylpropanoic acid
CID 97115094
2-methyl-2-[(2-methyl-1-oxo-1-phenylpropan-2-yl)diazenyl]-1-phenylpropan-1-one
CID 12576841
2-bromo-1-phenyl-2-sulfanylpropan-1-one
CID 23463078
2,2-dimethylpropane;diphenylmethanone
CID 159191976
(2S)-2-benzoyl-2,3,3-trimethylbutanedioic acid
CID 175533382
2,2-dimethyl-1-phenylbut-3-en-1-one
CID 569795
2-benzoyl-2,3-dihydroxy-3-methylbutanedioic acid
CID 141115442
benzoic acid;methanol
CID 67901482
CID 57211596
CID 57211596

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfanyl-1-phenylpropan-1-one?
The IUPAC name of 2-methyl-2-methylsulfanyl-1-phenylpropan-1-one (CID 19001344) is 2-methyl-2-methylsulfanyl-1-phenylpropan-1-one.
What is the SMILES notation for 2-methyl-2-methylsulfanyl-1-phenylpropan-1-one?
The canonical SMILES for 2-methyl-2-methylsulfanyl-1-phenylpropan-1-one is CSC(C)(C)C(=O)c1ccccc1.
What is the InChIKey of 2-methyl-2-methylsulfanyl-1-phenylpropan-1-one?
The InChIKey is NXCUERZWSLYLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-11(2,13-3)10(12)9-7-5-4-6-8-9/h4-8H,1-3H3.
What are the key properties of 2-methyl-2-methylsulfanyl-1-phenylpropan-1-one?
2-methyl-2-methylsulfanyl-1-phenylpropan-1-one has a molecular weight of 194.30 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfanyl-1-phenylpropan-1-one is sourced from PubChem (CID 19001344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).