1-chloro-2-(2-chloroethylsulfinyl)ethane

C4H8Cl2OS — CID 22070

IUPAC1-chloro-2-(2-chloroethylsulfinyl)ethane
SMILESO=S(CCCl)CCCl
InChIInChI=1S/C4H8Cl2OS/c5-1-3-8(7)4-2-6/h1-4H2
InChIKeyNOMHBBFEJSVGSC-UHFFFAOYSA-N
MW175.08 g/mol
LogP1.21
Rot. Bonds4

About 1-chloro-2-(2-chloroethylsulfinyl)ethane

1-chloro-2-(2-chloroethylsulfinyl)ethane (PubChem CID 22070) has the molecular formula C4H8Cl2OS and a molecular weight of 175.08 g/mol. Its IUPAC name is 1-chloro-2-(2-chloroethylsulfinyl)ethane.

Molecular Properties

Compound Name1-chloro-2-(2-chloroethylsulfinyl)ethane
PubChem CID22070
Molecular FormulaC4H8Cl2OS
Molecular Weight175.08 g/mol
Exact Mass173.97
IUPAC Name1-chloro-2-(2-chloroethylsulfinyl)ethane
SMILESO=S(CCCl)CCCl
InChIInChI=1S/C4H8Cl2OS/c5-1-3-8(7)4-2-6/h1-4H2
InChIKeyNOMHBBFEJSVGSC-UHFFFAOYSA-N
XLogP1.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.08
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethylsulfinyl)propane
CID 55302794
chloromethyl 2-chloroethanesulfinate
CID 154154793
2-(2-hydroxyethylsulfinyl)ethanol
CID 18330
(2R,3R)-3-[(R)-2-chloroethylsulfinyl]butan-2-ol
CID 13291396
prop-2-enyl 2-chloroethanesulfinate
CID 20518004
sodium 4-chlorobutane-1-sulfinate
CID 23688752
8-chlorooctane-1-sulfinic acid
CID 91187177
6-chlorohexane-1-sulfinate
CID 57263449
platinum(2+);bis(1-propylsulfinylpropane);dichloride
CID 3082519
but-3-enyl 2-chloroethanesulfinate
CID 22751647
chloromethanesulfinamide
CID 142801785
4-chloro-5-(2-chloroethylsulfinyl)dithiol-3-one
CID 154274623

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-chloroethylsulfinyl)ethane?
The IUPAC name of 1-chloro-2-(2-chloroethylsulfinyl)ethane (CID 22070) is 1-chloro-2-(2-chloroethylsulfinyl)ethane.
What is the SMILES notation for 1-chloro-2-(2-chloroethylsulfinyl)ethane?
The canonical SMILES for 1-chloro-2-(2-chloroethylsulfinyl)ethane is O=S(CCCl)CCCl.
What is the InChIKey of 1-chloro-2-(2-chloroethylsulfinyl)ethane?
The InChIKey is NOMHBBFEJSVGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl2OS/c5-1-3-8(7)4-2-6/h1-4H2.
What are the key properties of 1-chloro-2-(2-chloroethylsulfinyl)ethane?
1-chloro-2-(2-chloroethylsulfinyl)ethane has a molecular weight of 175.08 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2-chloroethylsulfinyl)ethane is sourced from PubChem (CID 22070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).