(Z)-3-(1,1-dioxothian-3-yl)prop-1-ene-1-sulfonyl chloride

C8H13ClO4S2 — CID 117265920

IUPAC(Z)-3-(1,1-dioxothian-3-yl)prop-1-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)/C=C\CC1CCCS(=O)(=O)C1
InChIInChI=1S/C8H13ClO4S2/c9-15(12,13)6-2-4-8-3-1-5-14(10,11)7-8/h2,6,8H,1,3-5,7H2/b6-2-
InChIKeyXFRIJHBJKKOKNH-KXFIGUGUSA-N
MW272.77 g/mol
LogP1.28
Rot. Bonds3

About (Z)-3-(1,1-dioxothian-3-yl)prop-1-ene-1-sulfonyl chloride

(Z)-3-(1,1-dioxothian-3-yl)prop-1-ene-1-sulfonyl chloride (PubChem CID 117265920) has the molecular formula C8H13ClO4S2 and a molecular weight of 272.77 g/mol. Its IUPAC name is (Z)-3-(1,1-dioxothian-3-yl)prop-1-ene-1-sulfonyl chloride.

Molecular Properties

Compound Name(Z)-3-(1,1-dioxothian-3-yl)prop-1-ene-1-sulfonyl chloride
PubChem CID117265920
Molecular FormulaC8H13ClO4S2
Molecular Weight272.77 g/mol
Exact Mass271.99
IUPAC Name(Z)-3-(1,1-dioxothian-3-yl)prop-1-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)/C=C\CC1CCCS(=O)(=O)C1
InChIInChI=1S/C8H13ClO4S2/c9-15(12,13)6-2-4-8-3-1-5-14(10,11)7-8/h2,6,8H,1,3-5,7H2/b6-2-
InChIKeyXFRIJHBJKKOKNH-KXFIGUGUSA-N
XLogP1.28
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.77
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Ethenylthiane 1,1-dioxide
CID 89424204
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-(1,1-dioxothian-4-yl)ethenesulfonyl chloride
CID 117265865
(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-(1,1-dioxothian-4-yl)prop-1-ene-1-sulfonyl chloride
CID 117265879
(Z)-3-(thian-4-yl)prop-1-ene-1-sulfonyl chloride
CID 117265880
(Z)-2-(thian-3-yl)ethenesulfonyl chloride
CID 117265886

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1,1-dioxothian-3-yl)prop-1-ene-1-sulfonyl chloride?
The IUPAC name of (Z)-3-(1,1-dioxothian-3-yl)prop-1-ene-1-sulfonyl chloride (CID 117265920) is (Z)-3-(1,1-dioxothian-3-yl)prop-1-ene-1-sulfonyl chloride.
What is the SMILES notation for (Z)-3-(1,1-dioxothian-3-yl)prop-1-ene-1-sulfonyl chloride?
The canonical SMILES for (Z)-3-(1,1-dioxothian-3-yl)prop-1-ene-1-sulfonyl chloride is O=S(=O)(Cl)/C=C\CC1CCCS(=O)(=O)C1.
What is the InChIKey of (Z)-3-(1,1-dioxothian-3-yl)prop-1-ene-1-sulfonyl chloride?
The InChIKey is XFRIJHBJKKOKNH-KXFIGUGUSA-N. The full InChI is InChI=1S/C8H13ClO4S2/c9-15(12,13)6-2-4-8-3-1-5-14(10,11)7-8/h2,6,8H,1,3-5,7H2/b6-2-.
What are the key properties of (Z)-3-(1,1-dioxothian-3-yl)prop-1-ene-1-sulfonyl chloride?
(Z)-3-(1,1-dioxothian-3-yl)prop-1-ene-1-sulfonyl chloride has a molecular weight of 272.77 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1,1-dioxothian-3-yl)prop-1-ene-1-sulfonyl chloride is sourced from PubChem (CID 117265920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).