1-(5-chloro-2-propan-2-ylsulfanylphenyl)ethanone

C11H13ClOS — CID 82264831

IUPAC1-(5-chloro-2-propan-2-ylsulfanylphenyl)ethanone
SMILESCC(=O)c1cc(Cl)ccc1SC(C)C
InChIInChI=1S/C11H13ClOS/c1-7(2)14-11-5-4-9(12)6-10(11)8(3)13/h4-7H,1-3H3
InChIKeyLLFOWGBWRWFSMW-UHFFFAOYSA-N
MW228.74 g/mol
LogP4.04
Rot. Bonds3

About 1-(5-chloro-2-propan-2-ylsulfanylphenyl)ethanone

1-(5-chloro-2-propan-2-ylsulfanylphenyl)ethanone (PubChem CID 82264831) has the molecular formula C11H13ClOS and a molecular weight of 228.74 g/mol. Its IUPAC name is 1-(5-chloro-2-propan-2-ylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-2-propan-2-ylsulfanylphenyl)ethanone
PubChem CID82264831
Molecular FormulaC11H13ClOS
Molecular Weight228.74 g/mol
Exact Mass228.04
IUPAC Name1-(5-chloro-2-propan-2-ylsulfanylphenyl)ethanone
SMILESCC(=O)c1cc(Cl)ccc1SC(C)C
InChIInChI=1S/C11H13ClOS/c1-7(2)14-11-5-4-9(12)6-10(11)8(3)13/h4-7H,1-3H3
InChIKeyLLFOWGBWRWFSMW-UHFFFAOYSA-N
XLogP4.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.74
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-propan-2-ylsulfanylphenyl)propan-1-one
CID 82264832
3-(2-acetyl-4-chlorophenyl)sulfanylbutanoic acid
CID 70989078
1-(2,5-dichlorophenyl)ethanone;ethane
CID 145081107
2-acetyl-5-chlorobenzoic acid
CID 11229391
N-(4-chlorophenyl)-2-propan-2-ylsulfanylbenzamide
CID 17224527
2-acetyl-4-chlorobenzamide
CID 157282795
N-(2,4-dichlorophenyl)-2-propan-2-ylsulfanylbenzamide
CID 17224609
1-(2-tert-butyl-5-chlorophenyl)ethanone
CID 84781393
1-[5-amino-2-(4-chlorophenyl)sulfanylphenyl]ethanone
CID 91875788
N-(3-chloro-4-fluorophenyl)-2-propan-2-ylsulfanylbenzamide
CID 9173217
1-(4-chloro-2-fluorophenyl)ethanone;ethane
CID 142194505
S-propan-2-yl 2-amino-5-chlorobenzenecarbothioate
CID 134123075

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-propan-2-ylsulfanylphenyl)ethanone?
The IUPAC name of 1-(5-chloro-2-propan-2-ylsulfanylphenyl)ethanone (CID 82264831) is 1-(5-chloro-2-propan-2-ylsulfanylphenyl)ethanone.
What is the SMILES notation for 1-(5-chloro-2-propan-2-ylsulfanylphenyl)ethanone?
The canonical SMILES for 1-(5-chloro-2-propan-2-ylsulfanylphenyl)ethanone is CC(=O)c1cc(Cl)ccc1SC(C)C.
What is the InChIKey of 1-(5-chloro-2-propan-2-ylsulfanylphenyl)ethanone?
The InChIKey is LLFOWGBWRWFSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClOS/c1-7(2)14-11-5-4-9(12)6-10(11)8(3)13/h4-7H,1-3H3.
What are the key properties of 1-(5-chloro-2-propan-2-ylsulfanylphenyl)ethanone?
1-(5-chloro-2-propan-2-ylsulfanylphenyl)ethanone has a molecular weight of 228.74 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-propan-2-ylsulfanylphenyl)ethanone is sourced from PubChem (CID 82264831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).