(Z)-2-(1,1-dioxothiolan-2-yl)ethenesulfonyl chloride

C6H9ClO4S2 — CID 117265892

IUPAC(Z)-2-(1,1-dioxothiolan-2-yl)ethenesulfonyl chloride
SMILESO=S(=O)(Cl)/C=C\C1CCCS1(=O)=O
InChIInChI=1S/C6H9ClO4S2/c7-13(10,11)5-3-6-2-1-4-12(6,8)9/h3,5-6H,1-2,4H2/b5-3-
InChIKeyNXCJLKXHJRANGP-HYXAFXHYSA-N
MW244.72 g/mol
LogP0.65
Rot. Bonds2

About (Z)-2-(1,1-dioxothiolan-2-yl)ethenesulfonyl chloride

(Z)-2-(1,1-dioxothiolan-2-yl)ethenesulfonyl chloride (PubChem CID 117265892) has the molecular formula C6H9ClO4S2 and a molecular weight of 244.72 g/mol. Its IUPAC name is (Z)-2-(1,1-dioxothiolan-2-yl)ethenesulfonyl chloride.

Molecular Properties

Compound Name(Z)-2-(1,1-dioxothiolan-2-yl)ethenesulfonyl chloride
PubChem CID117265892
Molecular FormulaC6H9ClO4S2
Molecular Weight244.72 g/mol
Exact Mass243.96
IUPAC Name(Z)-2-(1,1-dioxothiolan-2-yl)ethenesulfonyl chloride
SMILESO=S(=O)(Cl)/C=C\C1CCCS1(=O)=O
InChIInChI=1S/C6H9ClO4S2/c7-13(10,11)5-3-6-2-1-4-12(6,8)9/h3,5-6H,1-2,4H2/b5-3-
InChIKeyNXCJLKXHJRANGP-HYXAFXHYSA-N
XLogP0.65
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-Diethenyl-1lambda~6~-thiolane-1,1-dione
CID 12634220
cis-2,5-Divinylsulfolane
CID 23272235
trans-2,5-Divinylsulfolane
CID 129790691
2-Hexa-4,5-dienyl-1,3-dithiolane 1,1,3,3-tetraoxide
CID 135045396
1,1-Dioxo-2-prop-2-enylthiolane-3-thiol
CID 19020375
2-Prop-2-enylthiolane 1,1-dioxide
CID 54147349
2-Ethenylthiolane 1,1-dioxide
CID 57810821
4-Ethenyl-1,3-dithiolane 1,1,3,3-tetraoxide
CID 87303044
3-Methylsulfonylsulfanyl-2,3-dihydrothiophene 1,1-dioxide
CID 156046612
Hex-1-ene;thiolane 1,1-dioxide
CID 160130950
2-Prop-2-enylsulfonyl-2,3-dihydrothiophene
CID 174565423
1-(Thiolan-2-yl)prop-2-ene-1-sulfonic acid
CID 175129907

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(1,1-dioxothiolan-2-yl)ethenesulfonyl chloride?
The IUPAC name of (Z)-2-(1,1-dioxothiolan-2-yl)ethenesulfonyl chloride (CID 117265892) is (Z)-2-(1,1-dioxothiolan-2-yl)ethenesulfonyl chloride.
What is the SMILES notation for (Z)-2-(1,1-dioxothiolan-2-yl)ethenesulfonyl chloride?
The canonical SMILES for (Z)-2-(1,1-dioxothiolan-2-yl)ethenesulfonyl chloride is O=S(=O)(Cl)/C=C\C1CCCS1(=O)=O.
What is the InChIKey of (Z)-2-(1,1-dioxothiolan-2-yl)ethenesulfonyl chloride?
The InChIKey is NXCJLKXHJRANGP-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H9ClO4S2/c7-13(10,11)5-3-6-2-1-4-12(6,8)9/h3,5-6H,1-2,4H2/b5-3-.
What are the key properties of (Z)-2-(1,1-dioxothiolan-2-yl)ethenesulfonyl chloride?
(Z)-2-(1,1-dioxothiolan-2-yl)ethenesulfonyl chloride has a molecular weight of 244.72 g/mol, XLogP of 0.65, 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-dioxothiolan-2-yl)ethenesulfonyl chloride is sourced from PubChem (CID 117265892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).