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

C7H11ClO4S2 — CID 117265872

IUPAC(Z)-3-(1,1-dioxothiolan-3-yl)prop-1-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)/C=C\CC1CCS(=O)(=O)C1
InChIInChI=1S/C7H11ClO4S2/c8-14(11,12)4-1-2-7-3-5-13(9,10)6-7/h1,4,7H,2-3,5-6H2/b4-1-
InChIKeyQNQZHFUSIVPPNI-RJRFIUFISA-N
MW258.75 g/mol
LogP0.89
Rot. Bonds3

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

(Z)-3-(1,1-dioxothiolan-3-yl)prop-1-ene-1-sulfonyl chloride (PubChem CID 117265872) has the molecular formula C7H11ClO4S2 and a molecular weight of 258.75 g/mol. Its IUPAC name is (Z)-3-(1,1-dioxothiolan-3-yl)prop-1-ene-1-sulfonyl chloride.

Molecular Properties

Compound Name(Z)-3-(1,1-dioxothiolan-3-yl)prop-1-ene-1-sulfonyl chloride
PubChem CID117265872
Molecular FormulaC7H11ClO4S2
Molecular Weight258.75 g/mol
Exact Mass257.98
IUPAC Name(Z)-3-(1,1-dioxothiolan-3-yl)prop-1-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)/C=C\CC1CCS(=O)(=O)C1
InChIInChI=1S/C7H11ClO4S2/c8-14(11,12)4-1-2-7-3-5-13(9,10)6-7/h1,4,7H,2-3,5-6H2/b4-1-
InChIKeyQNQZHFUSIVPPNI-RJRFIUFISA-N
XLogP0.89
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 50.89
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-dioxothiolan-3-yl)prop-1-ene-1-sulfonyl chloride?
The IUPAC name of (Z)-3-(1,1-dioxothiolan-3-yl)prop-1-ene-1-sulfonyl chloride (CID 117265872) is (Z)-3-(1,1-dioxothiolan-3-yl)prop-1-ene-1-sulfonyl chloride.
What is the SMILES notation for (Z)-3-(1,1-dioxothiolan-3-yl)prop-1-ene-1-sulfonyl chloride?
The canonical SMILES for (Z)-3-(1,1-dioxothiolan-3-yl)prop-1-ene-1-sulfonyl chloride is O=S(=O)(Cl)/C=C\CC1CCS(=O)(=O)C1.
What is the InChIKey of (Z)-3-(1,1-dioxothiolan-3-yl)prop-1-ene-1-sulfonyl chloride?
The InChIKey is QNQZHFUSIVPPNI-RJRFIUFISA-N. The full InChI is InChI=1S/C7H11ClO4S2/c8-14(11,12)4-1-2-7-3-5-13(9,10)6-7/h1,4,7H,2-3,5-6H2/b4-1-.
What are the key properties of (Z)-3-(1,1-dioxothiolan-3-yl)prop-1-ene-1-sulfonyl chloride?
(Z)-3-(1,1-dioxothiolan-3-yl)prop-1-ene-1-sulfonyl chloride has a molecular weight of 258.75 g/mol, XLogP of 0.89, 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-dioxothiolan-3-yl)prop-1-ene-1-sulfonyl chloride is sourced from PubChem (CID 117265872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).