(Z)-2-(1,1-dioxothian-4-yl)ethenesulfonyl chloride

C7H11ClO4S2 — CID 117265865

IUPAC(Z)-2-(1,1-dioxothian-4-yl)ethenesulfonyl chloride
SMILESO=S(=O)(Cl)/C=C\C1CCS(=O)(=O)CC1
InChIInChI=1S/C7H11ClO4S2/c8-14(11,12)6-3-7-1-4-13(9,10)5-2-7/h3,6-7H,1-2,4-5H2/b6-3-
InChIKeyCPICCEDAVCZJSF-UTCJRWHESA-N
MW258.75 g/mol
LogP0.89
Rot. Bonds2

About (Z)-2-(1,1-dioxothian-4-yl)ethenesulfonyl chloride

(Z)-2-(1,1-dioxothian-4-yl)ethenesulfonyl chloride (PubChem CID 117265865) has the molecular formula C7H11ClO4S2 and a molecular weight of 258.75 g/mol. Its IUPAC name is (Z)-2-(1,1-dioxothian-4-yl)ethenesulfonyl chloride.

Molecular Properties

Compound Name(Z)-2-(1,1-dioxothian-4-yl)ethenesulfonyl chloride
PubChem CID117265865
Molecular FormulaC7H11ClO4S2
Molecular Weight258.75 g/mol
Exact Mass257.98
IUPAC Name(Z)-2-(1,1-dioxothian-4-yl)ethenesulfonyl chloride
SMILESO=S(=O)(Cl)/C=C\C1CCS(=O)(=O)CC1
InChIInChI=1S/C7H11ClO4S2/c8-14(11,12)6-3-7-1-4-13(9,10)5-2-7/h3,6-7H,1-2,4-5H2/b6-3-
InChIKeyCPICCEDAVCZJSF-UTCJRWHESA-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

Analyze (Z)-2-(1,1-dioxothian-4-yl)ethenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dihydro-2H-thiopyran-4-yl)ethanesulfonic acid
CID 87408778
4-Ethenylthiane 1,1-dioxide
CID 89424204
4-Ethenylthiane 1-oxide
CID 118203187
3-Ethenylthiane 1,1-dioxide
CID 170415811
(E)-3-(thian-3-yl)prop-2-ene-1-sulfonyl chloride
CID 115044012
(E)-3-(thian-4-yl)prop-2-ene-1-sulfonyl chloride
CID 115044013
(E)-3-(1,1-dioxothian-3-yl)prop-2-ene-1-sulfonyl chloride
CID 115050701
(E)-3-(1,1-dioxothian-4-yl)prop-2-ene-1-sulfonyl chloride
CID 115050702
(Z)-2-(thian-4-yl)ethenesulfonyl chloride
CID 117265866
(Z)-3-(1,1-dioxothiolan-3-yl)prop-1-ene-1-sulfonyl chloride
CID 117265872
(Z)-3-(thiolan-3-yl)prop-1-ene-1-sulfonyl chloride
CID 117265873
(Z)-3-(1,1-dioxothian-4-yl)prop-1-ene-1-sulfonyl chloride
CID 117265879

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(1,1-dioxothian-4-yl)ethenesulfonyl chloride?
The IUPAC name of (Z)-2-(1,1-dioxothian-4-yl)ethenesulfonyl chloride (CID 117265865) is (Z)-2-(1,1-dioxothian-4-yl)ethenesulfonyl chloride.
What is the SMILES notation for (Z)-2-(1,1-dioxothian-4-yl)ethenesulfonyl chloride?
The canonical SMILES for (Z)-2-(1,1-dioxothian-4-yl)ethenesulfonyl chloride is O=S(=O)(Cl)/C=C\C1CCS(=O)(=O)CC1.
What is the InChIKey of (Z)-2-(1,1-dioxothian-4-yl)ethenesulfonyl chloride?
The InChIKey is CPICCEDAVCZJSF-UTCJRWHESA-N. The full InChI is InChI=1S/C7H11ClO4S2/c8-14(11,12)6-3-7-1-4-13(9,10)5-2-7/h3,6-7H,1-2,4-5H2/b6-3-.
What are the key properties of (Z)-2-(1,1-dioxothian-4-yl)ethenesulfonyl chloride?
(Z)-2-(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 (Z)-2-(1,1-dioxothian-4-yl)ethenesulfonyl chloride is sourced from PubChem (CID 117265865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).