1-cyclopropyl-3-(2-methylphenyl)sulfanylpropan-2-one

C13H16OS — CID 66095262

IUPAC1-cyclopropyl-3-(2-methylphenyl)sulfanylpropan-2-one
SMILESCc1ccccc1SCC(=O)CC1CC1
InChIInChI=1S/C13H16OS/c1-10-4-2-3-5-13(10)15-9-12(14)8-11-6-7-11/h2-5,11H,6-9H2,1H3
InChIKeyZVZAEFWFBXDOTM-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.46
Rot. Bonds5

About 1-cyclopropyl-3-(2-methylphenyl)sulfanylpropan-2-one

1-cyclopropyl-3-(2-methylphenyl)sulfanylpropan-2-one (PubChem CID 66095262) has the molecular formula C13H16OS and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-methylphenyl)sulfanylpropan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-methylphenyl)sulfanylpropan-2-one
PubChem CID66095262
Molecular FormulaC13H16OS
Molecular Weight220.34 g/mol
Exact Mass220.09
IUPAC Name1-cyclopropyl-3-(2-methylphenyl)sulfanylpropan-2-one
SMILESCc1ccccc1SCC(=O)CC1CC1
InChIInChI=1S/C13H16OS/c1-10-4-2-3-5-13(10)15-9-12(14)8-11-6-7-11/h2-5,11H,6-9H2,1H3
InChIKeyZVZAEFWFBXDOTM-UHFFFAOYSA-N
XLogP3.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66096093
1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66095879
1-cycloheptyl-2-(2-methylphenyl)sulfanylethanone
CID 82932173
6,6-dimethyl-1-(2-methylphenyl)sulfanylheptan-2-one
CID 114209828
1-(2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 60892959
1-(3-hydroxyazetidin-1-yl)-2-(2-methylphenyl)sulfanylethanone
CID 63106968
1-(2-methylphenyl)sulfanyldecan-2-one
CID 66095469
methyl 2-(2-methylphenyl)sulfanylacetate
CID 21235696
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(2-methylphenyl)sulfanylethanone
CID 119484308
1-(4-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66093825
1-[4-(methylamino)piperidin-1-yl]-2-(2-methylphenyl)sulfanylethanone;hydrochloride
CID 119560859
2-[1-[2-(2-methylphenyl)sulfanylacetyl]piperidin-2-yl]acetic acid
CID 61011351

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-methylphenyl)sulfanylpropan-2-one?
The IUPAC name of 1-cyclopropyl-3-(2-methylphenyl)sulfanylpropan-2-one (CID 66095262) is 1-cyclopropyl-3-(2-methylphenyl)sulfanylpropan-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(2-methylphenyl)sulfanylpropan-2-one?
The canonical SMILES for 1-cyclopropyl-3-(2-methylphenyl)sulfanylpropan-2-one is Cc1ccccc1SCC(=O)CC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2-methylphenyl)sulfanylpropan-2-one?
The InChIKey is ZVZAEFWFBXDOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16OS/c1-10-4-2-3-5-13(10)15-9-12(14)8-11-6-7-11/h2-5,11H,6-9H2,1H3.
What are the key properties of 1-cyclopropyl-3-(2-methylphenyl)sulfanylpropan-2-one?
1-cyclopropyl-3-(2-methylphenyl)sulfanylpropan-2-one has a molecular weight of 220.34 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-methylphenyl)sulfanylpropan-2-one is sourced from PubChem (CID 66095262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).