2-chloroethyl methanesulfinate

C3H7ClO2S — CID 24975026

IUPAC2-chloroethyl methanesulfinate
SMILESCS(=O)OCCCl
InChIInChI=1S/C3H7ClO2S/c1-7(5)6-3-2-4/h2-3H2,1H3
InChIKeyGBDDWNXVSXEFPU-UHFFFAOYSA-N
MW142.61 g/mol
LogP0.54
Rot. Bonds3

About 2-chloroethyl methanesulfinate

2-chloroethyl methanesulfinate (PubChem CID 24975026) has the molecular formula C3H7ClO2S and a molecular weight of 142.61 g/mol. Its IUPAC name is 2-chloroethyl methanesulfinate.

Molecular Properties

Compound Name2-chloroethyl methanesulfinate
PubChem CID24975026
Molecular FormulaC3H7ClO2S
Molecular Weight142.61 g/mol
Exact Mass141.99
IUPAC Name2-chloroethyl methanesulfinate
SMILESCS(=O)OCCCl
InChIInChI=1S/C3H7ClO2S/c1-7(5)6-3-2-4/h2-3H2,1H3
InChIKeyGBDDWNXVSXEFPU-UHFFFAOYSA-N
XLogP0.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.61
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

potassium 3-chloropropyl sulfite
CID 174658395
chloromethyl 2-chloroethanesulfinate
CID 154154793
bis(2-chloroethoxy)-oxophosphanium;chloroethane
CID 88520254
1-chloro-2-(2-chloroethoxy)ethane;dichloromethane
CID 174956973
1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethane
CID 13072765
ethane;methyl methanesulfinate
CID 90810539
2-[1-[2-(2-methylsulfinyloxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethyl methanesulfinate;dihydrate
CID 178028126
sodium 1-(2-chloroethoxy)ethanesulfonate
CID 86739133
CID 150450689
CID 150450689
2-chloro-N,N-diethylethanamine;methylsulfinylmethane
CID 159764523
but-3-enyl 2-chloroethanesulfinate
CID 22751647
methylsulfinylmethane
CID 21183497

Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl methanesulfinate?
The IUPAC name of 2-chloroethyl methanesulfinate (CID 24975026) is 2-chloroethyl methanesulfinate.
What is the SMILES notation for 2-chloroethyl methanesulfinate?
The canonical SMILES for 2-chloroethyl methanesulfinate is CS(=O)OCCCl.
What is the InChIKey of 2-chloroethyl methanesulfinate?
The InChIKey is GBDDWNXVSXEFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7ClO2S/c1-7(5)6-3-2-4/h2-3H2,1H3.
What are the key properties of 2-chloroethyl methanesulfinate?
2-chloroethyl methanesulfinate has a molecular weight of 142.61 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl methanesulfinate is sourced from PubChem (CID 24975026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).