2-(4-chlorophenyl)sulfanyloxane

C11H13ClOS — CID 11413553

IUPAC2-(4-chlorophenyl)sulfanyloxane
SMILESClc1ccc(SC2CCCCO2)cc1
InChIInChI=1S/C11H13ClOS/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h4-7,11H,1-3,8H2
InChIKeySPZODLZBXOGYJV-UHFFFAOYSA-N
MW228.74 g/mol
LogP3.96
Rot. Bonds2

About 2-(4-chlorophenyl)sulfanyloxane

2-(4-chlorophenyl)sulfanyloxane (PubChem CID 11413553) has the molecular formula C11H13ClOS and a molecular weight of 228.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyloxane.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyloxane
PubChem CID11413553
Molecular FormulaC11H13ClOS
Molecular Weight228.74 g/mol
Exact Mass228.04
IUPAC Name2-(4-chlorophenyl)sulfanyloxane
SMILESClc1ccc(SC2CCCCO2)cc1
InChIInChI=1S/C11H13ClOS/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h4-7,11H,1-3,8H2
InChIKeySPZODLZBXOGYJV-UHFFFAOYSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.74
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(p-Chlorophenylthio)ethanol
CID 83487
Methyl 2-(4-chlorophenylthio)acetate
CID 246210
8-(4-Chloro-phenylsulfanylmethyl)-8-methyl-6,7,10 trioxa-spiro[4.5]decane
CID 11580482
1-Chloro-4-(isopropylsulfanyl)benzene
CID 5324157
Tetrahydro-2-(phenylthio)-2H-pyran
CID 89408
4-(p-Chlorophenylthio)butanol
CID 27288
Ethyl 2-(4-chlorophenyl)sulfanyl-2-fluoroacetate
CID 10399790
1-Chloro-4-[(2-propenyl)thio]benzene
CID 271496
1-Chloro-4-(ethylthio)benzene
CID 5324154
2-(4-Chlorophenyl)sulfanylethyl acetate
CID 303081
1-(Butylsulfanyl)-4-chlorobenzene
CID 11019903
1-Chloro-4-(cyclohexylsulfanyl)benzene
CID 237176

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyloxane?
The IUPAC name of 2-(4-chlorophenyl)sulfanyloxane (CID 11413553) is 2-(4-chlorophenyl)sulfanyloxane.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyloxane?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyloxane is Clc1ccc(SC2CCCCO2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyloxane?
The InChIKey is SPZODLZBXOGYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClOS/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h4-7,11H,1-3,8H2.
What are the key properties of 2-(4-chlorophenyl)sulfanyloxane?
2-(4-chlorophenyl)sulfanyloxane has a molecular weight of 228.74 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyloxane is sourced from PubChem (CID 11413553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).