3-chloro-4-(2-ethylsulfonylethyl)thiolane

C8H15ClO2S2 — CID 83190062

IUPAC3-chloro-4-(2-ethylsulfonylethyl)thiolane
SMILESCCS(=O)(=O)CCC1CSCC1Cl
InChIInChI=1S/C8H15ClO2S2/c1-2-13(10,11)4-3-7-5-12-6-8(7)9/h7-8H,2-6H2,1H3
InChIKeyNBBBJPFBXWTGNM-UHFFFAOYSA-N
MW242.79 g/mol
LogP1.78
Rot. Bonds4

About 3-chloro-4-(2-ethylsulfonylethyl)thiolane

3-chloro-4-(2-ethylsulfonylethyl)thiolane (PubChem CID 83190062) has the molecular formula C8H15ClO2S2 and a molecular weight of 242.79 g/mol. Its IUPAC name is 3-chloro-4-(2-ethylsulfonylethyl)thiolane.

Molecular Properties

Compound Name3-chloro-4-(2-ethylsulfonylethyl)thiolane
PubChem CID83190062
Molecular FormulaC8H15ClO2S2
Molecular Weight242.79 g/mol
Exact Mass242.02
IUPAC Name3-chloro-4-(2-ethylsulfonylethyl)thiolane
SMILESCCS(=O)(=O)CCC1CSCC1Cl
InChIInChI=1S/C8H15ClO2S2/c1-2-13(10,11)4-3-7-5-12-6-8(7)9/h7-8H,2-6H2,1H3
InChIKeyNBBBJPFBXWTGNM-UHFFFAOYSA-N
XLogP1.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.79
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-octylthiolane
CID 83191147
[2-(2-ethylsulfonylethyl)cyclobutyl]methanamine
CID 106735365
1-chloro-2-methyl-3-(2-propylsulfonylethyl)cyclopentane
CID 106732576
1-chloro-4-ethyl-2-(2-propylsulfonylethyl)cyclohexane
CID 106729101
3-(2-ethylsulfonylethyl)-2-methylcyclopentan-1-ol
CID 106732469
N-methyl-4-(2-propan-2-ylsulfonylethyl)thiolan-3-amine
CID 106727327
2-[2-(4-chlorothiolan-3-yl)ethyl]-1-methylimidazole
CID 114531168
2-(2-propylsulfonylethyl)cyclobutan-1-amine
CID 106735337
4-(2-propylsulfonylethyl)thiolan-3-one
CID 106727081
N-[[2-(2-ethylsulfonylethyl)cyclopentyl]methyl]-2-methylpropan-2-amine
CID 106735499
1-chloro-2-(2-propan-2-ylsulfonylethyl)cyclohexane
CID 106729081
2-(2-butylsulfonylethyl)cyclopentan-1-amine
CID 79581425

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-ethylsulfonylethyl)thiolane?
The IUPAC name of 3-chloro-4-(2-ethylsulfonylethyl)thiolane (CID 83190062) is 3-chloro-4-(2-ethylsulfonylethyl)thiolane.
What is the SMILES notation for 3-chloro-4-(2-ethylsulfonylethyl)thiolane?
The canonical SMILES for 3-chloro-4-(2-ethylsulfonylethyl)thiolane is CCS(=O)(=O)CCC1CSCC1Cl.
What is the InChIKey of 3-chloro-4-(2-ethylsulfonylethyl)thiolane?
The InChIKey is NBBBJPFBXWTGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO2S2/c1-2-13(10,11)4-3-7-5-12-6-8(7)9/h7-8H,2-6H2,1H3.
What are the key properties of 3-chloro-4-(2-ethylsulfonylethyl)thiolane?
3-chloro-4-(2-ethylsulfonylethyl)thiolane has a molecular weight of 242.79 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-ethylsulfonylethyl)thiolane is sourced from PubChem (CID 83190062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).