(Z)-3-(1,1-dioxothian-2-yl)prop-1-ene-1-sulfonyl chloride

C8H13ClO4S2 — CID 117265913

IUPAC(Z)-3-(1,1-dioxothian-2-yl)prop-1-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)/C=C\CC1CCCCS1(=O)=O
InChIInChI=1S/C8H13ClO4S2/c9-15(12,13)7-3-5-8-4-1-2-6-14(8,10)11/h3,7-8H,1-2,4-6H2/b7-3-
InChIKeySRAUGNRDEAYTQW-CLTKARDFSA-N
MW272.77 g/mol
LogP1.43
Rot. Bonds3

About (Z)-3-(1,1-dioxothian-2-yl)prop-1-ene-1-sulfonyl chloride

(Z)-3-(1,1-dioxothian-2-yl)prop-1-ene-1-sulfonyl chloride (PubChem CID 117265913) has the molecular formula C8H13ClO4S2 and a molecular weight of 272.77 g/mol. Its IUPAC name is (Z)-3-(1,1-dioxothian-2-yl)prop-1-ene-1-sulfonyl chloride.

Molecular Properties

Compound Name(Z)-3-(1,1-dioxothian-2-yl)prop-1-ene-1-sulfonyl chloride
PubChem CID117265913
Molecular FormulaC8H13ClO4S2
Molecular Weight272.77 g/mol
Exact Mass271.99
IUPAC Name(Z)-3-(1,1-dioxothian-2-yl)prop-1-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)/C=C\CC1CCCCS1(=O)=O
InChIInChI=1S/C8H13ClO4S2/c9-15(12,13)7-3-5-8-4-1-2-6-14(8,10)11/h3,7-8H,1-2,4-6H2/b7-3-
InChIKeySRAUGNRDEAYTQW-CLTKARDFSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1,1-dioxothian-2-yl)prop-1-ene-1-sulfonyl chloride?
The IUPAC name of (Z)-3-(1,1-dioxothian-2-yl)prop-1-ene-1-sulfonyl chloride (CID 117265913) is (Z)-3-(1,1-dioxothian-2-yl)prop-1-ene-1-sulfonyl chloride.
What is the SMILES notation for (Z)-3-(1,1-dioxothian-2-yl)prop-1-ene-1-sulfonyl chloride?
The canonical SMILES for (Z)-3-(1,1-dioxothian-2-yl)prop-1-ene-1-sulfonyl chloride is O=S(=O)(Cl)/C=C\CC1CCCCS1(=O)=O.
What is the InChIKey of (Z)-3-(1,1-dioxothian-2-yl)prop-1-ene-1-sulfonyl chloride?
The InChIKey is SRAUGNRDEAYTQW-CLTKARDFSA-N. The full InChI is InChI=1S/C8H13ClO4S2/c9-15(12,13)7-3-5-8-4-1-2-6-14(8,10)11/h3,7-8H,1-2,4-6H2/b7-3-.
What are the key properties of (Z)-3-(1,1-dioxothian-2-yl)prop-1-ene-1-sulfonyl chloride?
(Z)-3-(1,1-dioxothian-2-yl)prop-1-ene-1-sulfonyl chloride has a molecular weight of 272.77 g/mol, XLogP of 1.43, 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-2-yl)prop-1-ene-1-sulfonyl chloride is sourced from PubChem (CID 117265913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).