(Z)-2-(thian-2-yl)ethenesulfonyl chloride

C7H11ClO2S2 — CID 117265900

IUPAC(Z)-2-(thian-2-yl)ethenesulfonyl chloride
SMILESO=S(=O)(Cl)/C=C\C1CCCCS1
InChIInChI=1S/C7H11ClO2S2/c8-12(9,10)6-4-7-3-1-2-5-11-7/h4,6-7H,1-3,5H2/b6-4-
InChIKeyJCALMWMVTZAJSA-XQRVVYSFSA-N
MW226.75 g/mol
LogP2.35
Rot. Bonds2

About (Z)-2-(thian-2-yl)ethenesulfonyl chloride

(Z)-2-(thian-2-yl)ethenesulfonyl chloride (PubChem CID 117265900) has the molecular formula C7H11ClO2S2 and a molecular weight of 226.75 g/mol. Its IUPAC name is (Z)-2-(thian-2-yl)ethenesulfonyl chloride.

Molecular Properties

Compound Name(Z)-2-(thian-2-yl)ethenesulfonyl chloride
PubChem CID117265900
Molecular FormulaC7H11ClO2S2
Molecular Weight226.75 g/mol
Exact Mass225.99
IUPAC Name(Z)-2-(thian-2-yl)ethenesulfonyl chloride
SMILESO=S(=O)(Cl)/C=C\C1CCCCS1
InChIInChI=1S/C7H11ClO2S2/c8-12(9,10)6-4-7-3-1-2-5-11-7/h4,6-7H,1-3,5H2/b6-4-
InChIKeyJCALMWMVTZAJSA-XQRVVYSFSA-N
XLogP2.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (Z)-2-(thian-2-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

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(thian-2-yl)ethenesulfonyl chloride?
The IUPAC name of (Z)-2-(thian-2-yl)ethenesulfonyl chloride (CID 117265900) is (Z)-2-(thian-2-yl)ethenesulfonyl chloride.
What is the SMILES notation for (Z)-2-(thian-2-yl)ethenesulfonyl chloride?
The canonical SMILES for (Z)-2-(thian-2-yl)ethenesulfonyl chloride is O=S(=O)(Cl)/C=C\C1CCCCS1.
What is the InChIKey of (Z)-2-(thian-2-yl)ethenesulfonyl chloride?
The InChIKey is JCALMWMVTZAJSA-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H11ClO2S2/c8-12(9,10)6-4-7-3-1-2-5-11-7/h4,6-7H,1-3,5H2/b6-4-.
What are the key properties of (Z)-2-(thian-2-yl)ethenesulfonyl chloride?
(Z)-2-(thian-2-yl)ethenesulfonyl chloride has a molecular weight of 226.75 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(thian-2-yl)ethenesulfonyl chloride is sourced from PubChem (CID 117265900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).