1-(1,1-dioxothian-4-yl)ethenesulfonyl chloride

C7H11ClO4S2 — CID 117266508

IUPAC1-(1,1-dioxothian-4-yl)ethenesulfonyl chloride
SMILESC=C(C1CCS(=O)(=O)CC1)S(=O)(=O)Cl
InChIInChI=1S/C7H11ClO4S2/c1-6(14(8,11)12)7-2-4-13(9,10)5-3-7/h7H,1-5H2
InChIKeyXNSCVCBPJXHGTO-UHFFFAOYSA-N
MW258.75 g/mol
LogP0.89
Rot. Bonds2

About 1-(1,1-dioxothian-4-yl)ethenesulfonyl chloride

1-(1,1-dioxothian-4-yl)ethenesulfonyl chloride (PubChem CID 117266508) has the molecular formula C7H11ClO4S2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 1-(1,1-dioxothian-4-yl)ethenesulfonyl chloride.

Molecular Properties

Compound Name1-(1,1-dioxothian-4-yl)ethenesulfonyl chloride
PubChem CID117266508
Molecular FormulaC7H11ClO4S2
Molecular Weight258.75 g/mol
Exact Mass257.98
IUPAC Name1-(1,1-dioxothian-4-yl)ethenesulfonyl chloride
SMILESC=C(C1CCS(=O)(=O)CC1)S(=O)(=O)Cl
InChIInChI=1S/C7H11ClO4S2/c1-6(14(8,11)12)7-2-4-13(9,10)5-3-7/h7H,1-5H2
InChIKeyXNSCVCBPJXHGTO-UHFFFAOYSA-N
XLogP0.89
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-4-yl)ethenesulfonyl chloride?
The IUPAC name of 1-(1,1-dioxothian-4-yl)ethenesulfonyl chloride (CID 117266508) is 1-(1,1-dioxothian-4-yl)ethenesulfonyl chloride.
What is the SMILES notation for 1-(1,1-dioxothian-4-yl)ethenesulfonyl chloride?
The canonical SMILES for 1-(1,1-dioxothian-4-yl)ethenesulfonyl chloride is C=C(C1CCS(=O)(=O)CC1)S(=O)(=O)Cl.
What is the InChIKey of 1-(1,1-dioxothian-4-yl)ethenesulfonyl chloride?
The InChIKey is XNSCVCBPJXHGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO4S2/c1-6(14(8,11)12)7-2-4-13(9,10)5-3-7/h7H,1-5H2.
What are the key properties of 1-(1,1-dioxothian-4-yl)ethenesulfonyl chloride?
1-(1,1-dioxothian-4-yl)ethenesulfonyl chloride has a molecular weight of 258.75 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothian-4-yl)ethenesulfonyl chloride is sourced from PubChem (CID 117266508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).