1-(2-chloroethylsulfanyl)-2-methylsulfinylethane

C5H11ClOS2 — CID 127017144

IUPAC1-(2-chloroethylsulfanyl)-2-methylsulfinylethane
SMILESCS(=O)CCSCCCl
InChIInChI=1S/C5H11ClOS2/c1-9(7)5-4-8-3-2-6/h2-5H2,1H3
InChIKeyCOWODWSAXRKFSM-UHFFFAOYSA-N
MW186.73 g/mol
LogP1.34
Rot. Bonds5

About 1-(2-chloroethylsulfanyl)-2-methylsulfinylethane

1-(2-chloroethylsulfanyl)-2-methylsulfinylethane (PubChem CID 127017144) has the molecular formula C5H11ClOS2 and a molecular weight of 186.73 g/mol. Its IUPAC name is 1-(2-chloroethylsulfanyl)-2-methylsulfinylethane.

Molecular Properties

Compound Name1-(2-chloroethylsulfanyl)-2-methylsulfinylethane
PubChem CID127017144
Molecular FormulaC5H11ClOS2
Molecular Weight186.73 g/mol
Exact Mass185.99
IUPAC Name1-(2-chloroethylsulfanyl)-2-methylsulfinylethane
SMILESCS(=O)CCSCCCl
InChIInChI=1S/C5H11ClOS2/c1-9(7)5-4-8-3-2-6/h2-5H2,1H3
InChIKeyCOWODWSAXRKFSM-UHFFFAOYSA-N
XLogP1.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.73
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-chloroethylsulfanyl)-2-methylsulfinylethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-propylsulfanylethylsulfinyl)ethylsulfanyl]propane
CID 12636145
1-(2-chloroethylsulfanyl)octane
CID 12743198
2-[2-(2-chloroethylsulfanyl)ethylsulfonyl]-2-methylpropane
CID 106736034
2-ethylsulfanyl-N-(2-methylsulfinylethyl)ethanamine
CID 104668633
1-(2-chloroethylsulfanyl)-2-methylpropane
CID 19883756
1-chloro-2-(2-chloroethylsulfanyl)ethane;2-(2-hydroxyethylsulfanyl)ethanol;molecular hydrogen
CID 161060282
2-[(S)-methylsulfinyl]ethylazanium
CID 11888496
1-chloro-2-(2-chloroethylsulfinyl)ethane
CID 22070
1-(2-chloroethylsulfanyl)-3-[(E)-prop-1-enyl]sulfanylpropane
CID 101106688
4-chloro-N-(2-methylsulfinylethyl)butane-1-sulfonamide
CID 116816542
9-methylsulfinylnonyl thiocyanate
CID 141341789
4-chloro-N-(3-methylsulfinylpropyl)butane-1-sulfonamide
CID 116816553

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethylsulfanyl)-2-methylsulfinylethane?
The IUPAC name of 1-(2-chloroethylsulfanyl)-2-methylsulfinylethane (CID 127017144) is 1-(2-chloroethylsulfanyl)-2-methylsulfinylethane.
What is the SMILES notation for 1-(2-chloroethylsulfanyl)-2-methylsulfinylethane?
The canonical SMILES for 1-(2-chloroethylsulfanyl)-2-methylsulfinylethane is CS(=O)CCSCCCl.
What is the InChIKey of 1-(2-chloroethylsulfanyl)-2-methylsulfinylethane?
The InChIKey is COWODWSAXRKFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClOS2/c1-9(7)5-4-8-3-2-6/h2-5H2,1H3.
What are the key properties of 1-(2-chloroethylsulfanyl)-2-methylsulfinylethane?
1-(2-chloroethylsulfanyl)-2-methylsulfinylethane has a molecular weight of 186.73 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethylsulfanyl)-2-methylsulfinylethane is sourced from PubChem (CID 127017144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).