(Z)-3-(thiolan-3-yl)prop-1-ene-1-sulfonyl chloride

C7H11ClO2S2 — CID 117265873

IUPAC(Z)-3-(thiolan-3-yl)prop-1-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)/C=C\CC1CCSC1
InChIInChI=1S/C7H11ClO2S2/c8-12(9,10)5-1-2-7-3-4-11-6-7/h1,5,7H,2-4,6H2/b5-1-
InChIKeyKICVETDNBSOOHY-KTAJNNJTSA-N
MW226.75 g/mol
LogP2.21
Rot. Bonds3

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

(Z)-3-(thiolan-3-yl)prop-1-ene-1-sulfonyl chloride (PubChem CID 117265873) has the molecular formula C7H11ClO2S2 and a molecular weight of 226.75 g/mol. Its IUPAC name is (Z)-3-(thiolan-3-yl)prop-1-ene-1-sulfonyl chloride.

Molecular Properties

Compound Name(Z)-3-(thiolan-3-yl)prop-1-ene-1-sulfonyl chloride
PubChem CID117265873
Molecular FormulaC7H11ClO2S2
Molecular Weight226.75 g/mol
Exact Mass225.99
IUPAC Name(Z)-3-(thiolan-3-yl)prop-1-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)/C=C\CC1CCSC1
InChIInChI=1S/C7H11ClO2S2/c8-12(9,10)5-1-2-7-3-4-11-6-7/h1,5,7H,2-4,6H2/b5-1-
InChIKeyKICVETDNBSOOHY-KTAJNNJTSA-N
XLogP2.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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)-3-(thiolan-3-yl)prop-1-ene-1-sulfonyl chloride?
The IUPAC name of (Z)-3-(thiolan-3-yl)prop-1-ene-1-sulfonyl chloride (CID 117265873) is (Z)-3-(thiolan-3-yl)prop-1-ene-1-sulfonyl chloride.
What is the SMILES notation for (Z)-3-(thiolan-3-yl)prop-1-ene-1-sulfonyl chloride?
The canonical SMILES for (Z)-3-(thiolan-3-yl)prop-1-ene-1-sulfonyl chloride is O=S(=O)(Cl)/C=C\CC1CCSC1.
What is the InChIKey of (Z)-3-(thiolan-3-yl)prop-1-ene-1-sulfonyl chloride?
The InChIKey is KICVETDNBSOOHY-KTAJNNJTSA-N. The full InChI is InChI=1S/C7H11ClO2S2/c8-12(9,10)5-1-2-7-3-4-11-6-7/h1,5,7H,2-4,6H2/b5-1-.
What are the key properties of (Z)-3-(thiolan-3-yl)prop-1-ene-1-sulfonyl chloride?
(Z)-3-(thiolan-3-yl)prop-1-ene-1-sulfonyl chloride has a molecular weight of 226.75 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(thiolan-3-yl)prop-1-ene-1-sulfonyl chloride is sourced from PubChem (CID 117265873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).