cyclopropyl-(2-methylsulfanylphenyl)methanone

C11H12OS — CID 24724093

IUPACcyclopropyl-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)C1CC1
InChIInChI=1S/C11H12OS/c1-13-10-5-3-2-4-9(10)11(12)8-6-7-8/h2-5,8H,6-7H2,1H3
InChIKeyUKCFBWHXINMIEC-UHFFFAOYSA-N
MW192.28 g/mol
LogP3.00
Rot. Bonds3

About cyclopropyl-(2-methylsulfanylphenyl)methanone

cyclopropyl-(2-methylsulfanylphenyl)methanone (PubChem CID 24724093) has the molecular formula C11H12OS and a molecular weight of 192.28 g/mol. Its IUPAC name is cyclopropyl-(2-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Namecyclopropyl-(2-methylsulfanylphenyl)methanone
PubChem CID24724093
Molecular FormulaC11H12OS
Molecular Weight192.28 g/mol
Exact Mass192.06
IUPAC Namecyclopropyl-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)C1CC1
InChIInChI=1S/C11H12OS/c1-13-10-5-3-2-4-9(10)11(12)8-6-7-8/h2-5,8H,6-7H2,1H3
InChIKeyUKCFBWHXINMIEC-UHFFFAOYSA-N
XLogP3.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Thioxanthone
CID 10295
S-methyl thiobenzoate
CID 80024
1-(4-(Phenylthio)phenyl)ethan-1-one
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CID 69914
1-(4-(Methylthio)phenyl)ethan-1-one
CID 74501
Thiochroman-4-one
CID 19048
4H-1-Benzothiopyran-4-one
CID 95225
Benzo(b)thiophene-2,3-dione
CID 97303
4-Isopropylthioxanthone
CID 158403
2-Methyl-4H-1-benzothiopyran-4-one
CID 330346
4-Hydroxy-1-thiocoumarin
CID 177787
Dibenzo[b,e]thiepin-11(6H)-one
CID 73741

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(2-methylsulfanylphenyl)methanone?
The IUPAC name of cyclopropyl-(2-methylsulfanylphenyl)methanone (CID 24724093) is cyclopropyl-(2-methylsulfanylphenyl)methanone.
What is the SMILES notation for cyclopropyl-(2-methylsulfanylphenyl)methanone?
The canonical SMILES for cyclopropyl-(2-methylsulfanylphenyl)methanone is CSc1ccccc1C(=O)C1CC1.
What is the InChIKey of cyclopropyl-(2-methylsulfanylphenyl)methanone?
The InChIKey is UKCFBWHXINMIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OS/c1-13-10-5-3-2-4-9(10)11(12)8-6-7-8/h2-5,8H,6-7H2,1H3.
What are the key properties of cyclopropyl-(2-methylsulfanylphenyl)methanone?
cyclopropyl-(2-methylsulfanylphenyl)methanone has a molecular weight of 192.28 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(2-methylsulfanylphenyl)methanone is sourced from PubChem (CID 24724093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).