chlorosulfinyloxyethene

C2H3ClO2S — CID 170554483

IUPACchlorosulfinyloxyethene
SMILESC=COS(=O)Cl
InChIInChI=1S/C2H3ClO2S/c1-2-5-6(3)4/h2H,1H2
InChIKeyKPCXKWQKINBTFS-UHFFFAOYSA-N
MW126.56 g/mol
LogP0.96
Rot. Bonds2

About chlorosulfinyloxyethene

chlorosulfinyloxyethene (PubChem CID 170554483) has the molecular formula C2H3ClO2S and a molecular weight of 126.56 g/mol. Its IUPAC name is chlorosulfinyloxyethene.

Molecular Properties

Compound Namechlorosulfinyloxyethene
PubChem CID170554483
Molecular FormulaC2H3ClO2S
Molecular Weight126.56 g/mol
Exact Mass125.95
IUPAC Namechlorosulfinyloxyethene
SMILESC=COS(=O)Cl
InChIInChI=1S/C2H3ClO2S/c1-2-5-6(3)4/h2H,1H2
InChIKeyKPCXKWQKINBTFS-UHFFFAOYSA-N
XLogP0.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.56
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethene;ethenyl hydrogen sulfite
CID 87173338
3-chlorosulfinyloxy-3-fluoroprop-1-ene
CID 121364749
ethenyl phenyl sulfite
CID 151720739
methane;thionyl dichloride
CID 87295890
CID 160946588
CID 160946588
sodium;ethenyl sulfite;2-methylidenebutanedioic acid
CID 121346754
methyl prop-2-enyl sulfite
CID 22451027
bis(2-ethenoxysulfinylethyl) cyclopropane-1,1-dicarboxylate
CID 20661438
CID 88628598
CID 88628598
ethenoxyethene;nitroxyl
CID 87932268
1-[(S)-methylsulfinyl]ethene
CID 12645971
chloro-ethenoxy-oxophosphanium
CID 87697866

Frequently Asked Questions

What is the IUPAC name of chlorosulfinyloxyethene?
The IUPAC name of chlorosulfinyloxyethene (CID 170554483) is chlorosulfinyloxyethene.
What is the SMILES notation for chlorosulfinyloxyethene?
The canonical SMILES for chlorosulfinyloxyethene is C=COS(=O)Cl.
What is the InChIKey of chlorosulfinyloxyethene?
The InChIKey is KPCXKWQKINBTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3ClO2S/c1-2-5-6(3)4/h2H,1H2.
What are the key properties of chlorosulfinyloxyethene?
chlorosulfinyloxyethene has a molecular weight of 126.56 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlorosulfinyloxyethene is sourced from PubChem (CID 170554483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).