(Z)-3-(1,1-dioxothian-4-yl)prop-1-ene-1-sulfonyl chloride

C8H13ClO4S2 — CID 117265879

IUPAC(Z)-3-(1,1-dioxothian-4-yl)prop-1-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)/C=C\CC1CCS(=O)(=O)CC1
InChIInChI=1S/C8H13ClO4S2/c9-15(12,13)5-1-2-8-3-6-14(10,11)7-4-8/h1,5,8H,2-4,6-7H2/b5-1-
InChIKeyBYIRQJWJJGXZNR-KTAJNNJTSA-N
MW272.77 g/mol
LogP1.28
Rot. Bonds3

About (Z)-3-(1,1-dioxothian-4-yl)prop-1-ene-1-sulfonyl chloride

(Z)-3-(1,1-dioxothian-4-yl)prop-1-ene-1-sulfonyl chloride (PubChem CID 117265879) has the molecular formula C8H13ClO4S2 and a molecular weight of 272.77 g/mol. Its IUPAC name is (Z)-3-(1,1-dioxothian-4-yl)prop-1-ene-1-sulfonyl chloride.

Molecular Properties

Compound Name(Z)-3-(1,1-dioxothian-4-yl)prop-1-ene-1-sulfonyl chloride
PubChem CID117265879
Molecular FormulaC8H13ClO4S2
Molecular Weight272.77 g/mol
Exact Mass271.99
IUPAC Name(Z)-3-(1,1-dioxothian-4-yl)prop-1-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)/C=C\CC1CCS(=O)(=O)CC1
InChIInChI=1S/C8H13ClO4S2/c9-15(12,13)5-1-2-8-3-6-14(10,11)7-4-8/h1,5,8H,2-4,6-7H2/b5-1-
InChIKeyBYIRQJWJJGXZNR-KTAJNNJTSA-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

Analyze (Z)-3-(1,1-dioxothian-4-yl)prop-1-ene-1-sulfonyl chloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1,1-dioxothian-4-yl)prop-1-ene-1-sulfonyl chloride?
The IUPAC name of (Z)-3-(1,1-dioxothian-4-yl)prop-1-ene-1-sulfonyl chloride (CID 117265879) is (Z)-3-(1,1-dioxothian-4-yl)prop-1-ene-1-sulfonyl chloride.
What is the SMILES notation for (Z)-3-(1,1-dioxothian-4-yl)prop-1-ene-1-sulfonyl chloride?
The canonical SMILES for (Z)-3-(1,1-dioxothian-4-yl)prop-1-ene-1-sulfonyl chloride is O=S(=O)(Cl)/C=C\CC1CCS(=O)(=O)CC1.
What is the InChIKey of (Z)-3-(1,1-dioxothian-4-yl)prop-1-ene-1-sulfonyl chloride?
The InChIKey is BYIRQJWJJGXZNR-KTAJNNJTSA-N. The full InChI is InChI=1S/C8H13ClO4S2/c9-15(12,13)5-1-2-8-3-6-14(10,11)7-4-8/h1,5,8H,2-4,6-7H2/b5-1-.
What are the key properties of (Z)-3-(1,1-dioxothian-4-yl)prop-1-ene-1-sulfonyl chloride?
(Z)-3-(1,1-dioxothian-4-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-4-yl)prop-1-ene-1-sulfonyl chloride is sourced from PubChem (CID 117265879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).