5-chlorooxathiolane 2,2-dioxide

C3H5ClO3S — CID 118871827

IUPAC5-chlorooxathiolane 2,2-dioxide
SMILESO=S1(=O)CCC(Cl)O1
InChIInChI=1S/C3H5ClO3S/c4-3-1-2-8(5,6)7-3/h3H,1-2H2
InChIKeyKGWRNGANARZJBZ-UHFFFAOYSA-N
MW156.59 g/mol
LogP0.30
Rot. Bonds

About 5-chlorooxathiolane 2,2-dioxide

5-chlorooxathiolane 2,2-dioxide (PubChem CID 118871827) has the molecular formula C3H5ClO3S and a molecular weight of 156.59 g/mol. Its IUPAC name is 5-chlorooxathiolane 2,2-dioxide.

Molecular Properties

Compound Name5-chlorooxathiolane 2,2-dioxide
PubChem CID118871827
Molecular FormulaC3H5ClO3S
Molecular Weight156.59 g/mol
Exact Mass155.96
IUPAC Name5-chlorooxathiolane 2,2-dioxide
SMILESO=S1(=O)CCC(Cl)O1
InChIInChI=1S/C3H5ClO3S/c4-3-1-2-8(5,6)7-3/h3H,1-2H2
InChIKeyKGWRNGANARZJBZ-UHFFFAOYSA-N
XLogP0.30
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.59
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

5-ethynyl-6-methyloxathiane 2,2-dioxide
CID 89446241
4,7-dimethyl-1,3,2-dioxathiepane 2,2-dioxide
CID 18615681
5-methyloxathiepane 2,2-dioxide
CID 89251453
5-fluoro-4,5-dihydro-3H-oxathiepine 2,2-dioxide
CID 89251546
5-(fluoromethyl)oxathiane 2,2-dioxide
CID 159333894
2-chloro-1,1-dioxothiolan-3-amine
CID 142757877
6-octadecyloxathiane 2,2-dioxide
CID 86735404
(3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiole 2,2-dioxide
CID 11275189
2-chloro-5-methyloxolane
CID 69273626
6-[(2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-yl)methyl]-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide
CID 129060929
6-[2-(2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-yl)ethyl]-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide
CID 154586607
6-fluorooxathiepane 2,2-dioxide
CID 89251329

Frequently Asked Questions

What is the IUPAC name of 5-chlorooxathiolane 2,2-dioxide?
The IUPAC name of 5-chlorooxathiolane 2,2-dioxide (CID 118871827) is 5-chlorooxathiolane 2,2-dioxide.
What is the SMILES notation for 5-chlorooxathiolane 2,2-dioxide?
The canonical SMILES for 5-chlorooxathiolane 2,2-dioxide is O=S1(=O)CCC(Cl)O1.
What is the InChIKey of 5-chlorooxathiolane 2,2-dioxide?
The InChIKey is KGWRNGANARZJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClO3S/c4-3-1-2-8(5,6)7-3/h3H,1-2H2.
What are the key properties of 5-chlorooxathiolane 2,2-dioxide?
5-chlorooxathiolane 2,2-dioxide has a molecular weight of 156.59 g/mol, XLogP of 0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorooxathiolane 2,2-dioxide is sourced from PubChem (CID 118871827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).