(1,1-dioxothiolan-3-yl)methanesulfonyl chloride

C5H9ClO4S2 — CID 55279360

IUPAC(1,1-dioxothiolan-3-yl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1CCS(=O)(=O)C1
InChIInChI=1S/C5H9ClO4S2/c6-12(9,10)4-5-1-2-11(7,8)3-5/h5H,1-4H2
InChIKeyGVGQILJHSCPTFL-UHFFFAOYSA-N
MW232.71 g/mol
LogP-0.01
Rot. Bonds2

About (1,1-dioxothiolan-3-yl)methanesulfonyl chloride

(1,1-dioxothiolan-3-yl)methanesulfonyl chloride (PubChem CID 55279360) has the molecular formula C5H9ClO4S2 and a molecular weight of 232.71 g/mol. Its IUPAC name is (1,1-dioxothiolan-3-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(1,1-dioxothiolan-3-yl)methanesulfonyl chloride
PubChem CID55279360
Molecular FormulaC5H9ClO4S2
Molecular Weight232.71 g/mol
Exact Mass231.96
IUPAC Name(1,1-dioxothiolan-3-yl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1CCS(=O)(=O)C1
InChIInChI=1S/C5H9ClO4S2/c6-12(9,10)4-5-1-2-11(7,8)3-5/h5H,1-4H2
InChIKeyGVGQILJHSCPTFL-UHFFFAOYSA-N
XLogP-0.01
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothiolan-3-yl)methanesulfonyl chloride?
The IUPAC name of (1,1-dioxothiolan-3-yl)methanesulfonyl chloride (CID 55279360) is (1,1-dioxothiolan-3-yl)methanesulfonyl chloride.
What is the SMILES notation for (1,1-dioxothiolan-3-yl)methanesulfonyl chloride?
The canonical SMILES for (1,1-dioxothiolan-3-yl)methanesulfonyl chloride is O=S(=O)(Cl)CC1CCS(=O)(=O)C1.
What is the InChIKey of (1,1-dioxothiolan-3-yl)methanesulfonyl chloride?
The InChIKey is GVGQILJHSCPTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO4S2/c6-12(9,10)4-5-1-2-11(7,8)3-5/h5H,1-4H2.
What are the key properties of (1,1-dioxothiolan-3-yl)methanesulfonyl chloride?
(1,1-dioxothiolan-3-yl)methanesulfonyl chloride has a molecular weight of 232.71 g/mol, XLogP of -0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothiolan-3-yl)methanesulfonyl chloride is sourced from PubChem (CID 55279360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).