1-(2-chlorophenyl)-2-(2-hydroxyethylsulfanyl)ethanone

C10H11ClO2S — CID 43801822

IUPAC1-(2-chlorophenyl)-2-(2-hydroxyethylsulfanyl)ethanone
SMILESO=C(CSCCO)c1ccccc1Cl
InChIInChI=1S/C10H11ClO2S/c11-9-4-2-1-3-8(9)10(13)7-14-6-5-12/h1-4,12H,5-7H2
InChIKeyHSNKXWJVQQRVKE-UHFFFAOYSA-N
MW230.72 g/mol
LogP2.25
Rot. Bonds5

About 1-(2-chlorophenyl)-2-(2-hydroxyethylsulfanyl)ethanone

1-(2-chlorophenyl)-2-(2-hydroxyethylsulfanyl)ethanone (PubChem CID 43801822) has the molecular formula C10H11ClO2S and a molecular weight of 230.72 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(2-hydroxyethylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(2-hydroxyethylsulfanyl)ethanone
PubChem CID43801822
Molecular FormulaC10H11ClO2S
Molecular Weight230.72 g/mol
Exact Mass230.02
IUPAC Name1-(2-chlorophenyl)-2-(2-hydroxyethylsulfanyl)ethanone
SMILESO=C(CSCCO)c1ccccc1Cl
InChIInChI=1S/C10H11ClO2S/c11-9-4-2-1-3-8(9)10(13)7-14-6-5-12/h1-4,12H,5-7H2
InChIKeyHSNKXWJVQQRVKE-UHFFFAOYSA-N
XLogP2.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxyethylsulfanyl)-1-(2-methoxyphenyl)ethanone
CID 43801820
1-(2-chlorophenyl)-2-phosphanylethanone
CID 144986578
2-(3-hydroxypropylsulfanyl)-1-(2-methoxyphenyl)ethanone
CID 66125952
1-(2-chlorophenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43218654
2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanone
CID 43231190
3-(2-chlorophenyl)-3-oxopropanoyl chloride
CID 175437558
1-(3-bromophenyl)-2-(2-hydroxyethylsulfanyl)ethanone
CID 43219961
1-(2-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107307846
2-aminoethanol;2-chlorobenzoic acid
CID 86075909
1-(2-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 43413965
2-[2-(2-chlorophenyl)-2-oxoethyl]pyridazin-3-one
CID 55127113
[2-(2-chlorophenyl)-2-oxoethyl] methanesulfonate
CID 87403648

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(2-hydroxyethylsulfanyl)ethanone?
The IUPAC name of 1-(2-chlorophenyl)-2-(2-hydroxyethylsulfanyl)ethanone (CID 43801822) is 1-(2-chlorophenyl)-2-(2-hydroxyethylsulfanyl)ethanone.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(2-hydroxyethylsulfanyl)ethanone?
The canonical SMILES for 1-(2-chlorophenyl)-2-(2-hydroxyethylsulfanyl)ethanone is O=C(CSCCO)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(2-hydroxyethylsulfanyl)ethanone?
The InChIKey is HSNKXWJVQQRVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2S/c11-9-4-2-1-3-8(9)10(13)7-14-6-5-12/h1-4,12H,5-7H2.
What are the key properties of 1-(2-chlorophenyl)-2-(2-hydroxyethylsulfanyl)ethanone?
1-(2-chlorophenyl)-2-(2-hydroxyethylsulfanyl)ethanone has a molecular weight of 230.72 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(2-hydroxyethylsulfanyl)ethanone is sourced from PubChem (CID 43801822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).