(Z)-2-(thian-3-yl)ethenesulfonyl chloride

C7H11ClO2S2 — CID 117265886

IUPAC(Z)-2-(thian-3-yl)ethenesulfonyl chloride
SMILESO=S(=O)(Cl)/C=C\C1CCCSC1
InChIInChI=1S/C7H11ClO2S2/c8-12(9,10)5-3-7-2-1-4-11-6-7/h3,5,7H,1-2,4,6H2/b5-3-
InChIKeyKCBDHLNXCBAFHN-HYXAFXHYSA-N
MW226.75 g/mol
LogP2.21
Rot. Bonds2

About (Z)-2-(thian-3-yl)ethenesulfonyl chloride

(Z)-2-(thian-3-yl)ethenesulfonyl chloride (PubChem CID 117265886) has the molecular formula C7H11ClO2S2 and a molecular weight of 226.75 g/mol. Its IUPAC name is (Z)-2-(thian-3-yl)ethenesulfonyl chloride.

Molecular Properties

Compound Name(Z)-2-(thian-3-yl)ethenesulfonyl chloride
PubChem CID117265886
Molecular FormulaC7H11ClO2S2
Molecular Weight226.75 g/mol
Exact Mass225.99
IUPAC Name(Z)-2-(thian-3-yl)ethenesulfonyl chloride
SMILESO=S(=O)(Cl)/C=C\C1CCCSC1
InChIInChI=1S/C7H11ClO2S2/c8-12(9,10)5-3-7-2-1-4-11-6-7/h3,5,7H,1-2,4,6H2/b5-3-
InChIKeyKCBDHLNXCBAFHN-HYXAFXHYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(thian-3-yl)ethenesulfonyl chloride?
The IUPAC name of (Z)-2-(thian-3-yl)ethenesulfonyl chloride (CID 117265886) is (Z)-2-(thian-3-yl)ethenesulfonyl chloride.
What is the SMILES notation for (Z)-2-(thian-3-yl)ethenesulfonyl chloride?
The canonical SMILES for (Z)-2-(thian-3-yl)ethenesulfonyl chloride is O=S(=O)(Cl)/C=C\C1CCCSC1.
What is the InChIKey of (Z)-2-(thian-3-yl)ethenesulfonyl chloride?
The InChIKey is KCBDHLNXCBAFHN-HYXAFXHYSA-N. The full InChI is InChI=1S/C7H11ClO2S2/c8-12(9,10)5-3-7-2-1-4-11-6-7/h3,5,7H,1-2,4,6H2/b5-3-.
What are the key properties of (Z)-2-(thian-3-yl)ethenesulfonyl chloride?
(Z)-2-(thian-3-yl)ethenesulfonyl chloride has a molecular weight of 226.75 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(thian-3-yl)ethenesulfonyl chloride is sourced from PubChem (CID 117265886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).