1-(2-hydroxy-6-methylsulfanylphenyl)ethanone

C9H10O2S — CID 117279279

IUPAC1-(2-hydroxy-6-methylsulfanylphenyl)ethanone
SMILESCSc1cccc(O)c1C(C)=O
InChIInChI=1S/C9H10O2S/c1-6(10)9-7(11)4-3-5-8(9)12-2/h3-5,11H,1-2H3
InChIKeyNBOOPWRKHOOKGH-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.32
Rot. Bonds2

About 1-(2-hydroxy-6-methylsulfanylphenyl)ethanone

1-(2-hydroxy-6-methylsulfanylphenyl)ethanone (PubChem CID 117279279) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-(2-hydroxy-6-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-hydroxy-6-methylsulfanylphenyl)ethanone
PubChem CID117279279
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Name1-(2-hydroxy-6-methylsulfanylphenyl)ethanone
SMILESCSc1cccc(O)c1C(C)=O
InChIInChI=1S/C9H10O2S/c1-6(10)9-7(11)4-3-5-8(9)12-2/h3-5,11H,1-2H3
InChIKeyNBOOPWRKHOOKGH-UHFFFAOYSA-N
XLogP2.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxy-6-methylsulfanylphenyl)-2-oxoacetic acid
CID 117302921
2-hydroxy-6-methylsulfanylbenzenecarbothioamide
CID 136861846
1-(2-bromo-6-hydroxyphenyl)ethanone
CID 53407096
1-(2-hydroxy-6-propan-2-ylphenyl)ethanone
CID 130031479
1-chloro-1-(2-hydroxy-6-methylsulfanylphenyl)propan-2-one
CID 130777829
5-methylsulfanylnaphthalen-1-ol
CID 130033866
2-amino-3-methylsulfanylphenol
CID 23540046
1-[2,6-bis(methylsulfanyl)phenyl]-3-chloropropan-1-one
CID 166641952
cobalt;bis(2-methylsulfanylphenol);dihydrate
CID 70522952
1-(2-iodo-6-methylsulfanylphenyl)propan-1-one
CID 118843566
methyl 2-bromo-6-methylsulfanylbenzoate
CID 91880735
2-methylsulfanylphenol;naphthalene
CID 174459188

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-6-methylsulfanylphenyl)ethanone?
The IUPAC name of 1-(2-hydroxy-6-methylsulfanylphenyl)ethanone (CID 117279279) is 1-(2-hydroxy-6-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 1-(2-hydroxy-6-methylsulfanylphenyl)ethanone?
The canonical SMILES for 1-(2-hydroxy-6-methylsulfanylphenyl)ethanone is CSc1cccc(O)c1C(C)=O.
What is the InChIKey of 1-(2-hydroxy-6-methylsulfanylphenyl)ethanone?
The InChIKey is NBOOPWRKHOOKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2S/c1-6(10)9-7(11)4-3-5-8(9)12-2/h3-5,11H,1-2H3.
What are the key properties of 1-(2-hydroxy-6-methylsulfanylphenyl)ethanone?
1-(2-hydroxy-6-methylsulfanylphenyl)ethanone has a molecular weight of 182.24 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-6-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 117279279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).