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

C8H13ClO2S2 — CID 117265880

IUPAC(Z)-3-(thian-4-yl)prop-1-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)/C=C\CC1CCSCC1
InChIInChI=1S/C8H13ClO2S2/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1,7-8H,2-6H2/b7-1-
InChIKeySSCATPOSSIOLGE-XFSBKJJWSA-N
MW240.78 g/mol
LogP2.60
Rot. Bonds3

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

(Z)-3-(thian-4-yl)prop-1-ene-1-sulfonyl chloride (PubChem CID 117265880) has the molecular formula C8H13ClO2S2 and a molecular weight of 240.78 g/mol. Its IUPAC name is (Z)-3-(thian-4-yl)prop-1-ene-1-sulfonyl chloride.

Molecular Properties

Compound Name(Z)-3-(thian-4-yl)prop-1-ene-1-sulfonyl chloride
PubChem CID117265880
Molecular FormulaC8H13ClO2S2
Molecular Weight240.78 g/mol
Exact Mass240.00
IUPAC Name(Z)-3-(thian-4-yl)prop-1-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)/C=C\CC1CCSCC1
InChIInChI=1S/C8H13ClO2S2/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1,7-8H,2-6H2/b7-1-
InChIKeySSCATPOSSIOLGE-XFSBKJJWSA-N
XLogP2.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(thian-4-yl)prop-1-ene-1-sulfonyl chloride?
The IUPAC name of (Z)-3-(thian-4-yl)prop-1-ene-1-sulfonyl chloride (CID 117265880) is (Z)-3-(thian-4-yl)prop-1-ene-1-sulfonyl chloride.
What is the SMILES notation for (Z)-3-(thian-4-yl)prop-1-ene-1-sulfonyl chloride?
The canonical SMILES for (Z)-3-(thian-4-yl)prop-1-ene-1-sulfonyl chloride is O=S(=O)(Cl)/C=C\CC1CCSCC1.
What is the InChIKey of (Z)-3-(thian-4-yl)prop-1-ene-1-sulfonyl chloride?
The InChIKey is SSCATPOSSIOLGE-XFSBKJJWSA-N. The full InChI is InChI=1S/C8H13ClO2S2/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1,7-8H,2-6H2/b7-1-.
What are the key properties of (Z)-3-(thian-4-yl)prop-1-ene-1-sulfonyl chloride?
(Z)-3-(thian-4-yl)prop-1-ene-1-sulfonyl chloride has a molecular weight of 240.78 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(thian-4-yl)prop-1-ene-1-sulfonyl chloride is sourced from PubChem (CID 117265880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).