3-(2,6-dichlorophenyl)sulfanyloxolan-2-one

C10H8Cl2O2S — CID 51072328

IUPAC3-(2,6-dichlorophenyl)sulfanyloxolan-2-one
SMILESO=C1OCCC1Sc1c(Cl)cccc1Cl
InChIInChI=1S/C10H8Cl2O2S/c11-6-2-1-3-7(12)9(6)15-8-4-5-14-10(8)13/h1-3,8H,4-5H2
InChIKeyYQKQRUKGYFLWDZ-UHFFFAOYSA-N
MW263.14 g/mol
LogP3.40
Rot. Bonds2

About 3-(2,6-dichlorophenyl)sulfanyloxolan-2-one

3-(2,6-dichlorophenyl)sulfanyloxolan-2-one (PubChem CID 51072328) has the molecular formula C10H8Cl2O2S and a molecular weight of 263.14 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)sulfanyloxolan-2-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)sulfanyloxolan-2-one
PubChem CID51072328
Molecular FormulaC10H8Cl2O2S
Molecular Weight263.14 g/mol
Exact Mass261.96
IUPAC Name3-(2,6-dichlorophenyl)sulfanyloxolan-2-one
SMILESO=C1OCCC1Sc1c(Cl)cccc1Cl
InChIInChI=1S/C10H8Cl2O2S/c11-6-2-1-3-7(12)9(6)15-8-4-5-14-10(8)13/h1-3,8H,4-5H2
InChIKeyYQKQRUKGYFLWDZ-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.14
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-Dichlorophenylthio)Acetic Acid
CID 1810591
3-(4-Chlorophenyl)sulfanyloxolan-2-one
CID 2948155
3-(4-Chlorophenyl)sulfanyl-3-fluorooxolan-2-one
CID 11322579
Ethyl 2-(4-chlorophenyl)sulfanylbutanoate
CID 11345949
Methyl 4-(4-chlorophenyl)sulfanylbutanoate
CID 43215185
Ethyl 2-(2-chloro-4-fluorophenyl)sulfanylpropanoate
CID 17821619
Ethyl 2-(2-chloro-4-fluorophenyl)sulfanylacetate
CID 17821670
11D-094
CID 2766484
methyl (3S)-3-(4-chlorophenyl)sulfanylbutanoate
CID 176430927
Ethyl 2-(2,6-dichlorophenyl)sulfanyl-2-fluoroacetate
CID 79356498
Ethyl 2-(2-chlorophenyl)sulfanyl-2-fluoroacetate
CID 79356683
Ethyl 2-(4-chlorophenyl)sulfanylpent-4-enoate
CID 132546125

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)sulfanyloxolan-2-one?
The IUPAC name of 3-(2,6-dichlorophenyl)sulfanyloxolan-2-one (CID 51072328) is 3-(2,6-dichlorophenyl)sulfanyloxolan-2-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)sulfanyloxolan-2-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)sulfanyloxolan-2-one is O=C1OCCC1Sc1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenyl)sulfanyloxolan-2-one?
The InChIKey is YQKQRUKGYFLWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2O2S/c11-6-2-1-3-7(12)9(6)15-8-4-5-14-10(8)13/h1-3,8H,4-5H2.
What are the key properties of 3-(2,6-dichlorophenyl)sulfanyloxolan-2-one?
3-(2,6-dichlorophenyl)sulfanyloxolan-2-one has a molecular weight of 263.14 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)sulfanyloxolan-2-one is sourced from PubChem (CID 51072328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).