3-chlorosulfonyloxythiophene

C4H3ClO3S2 — CID 88738110

IUPAC3-chlorosulfonyloxythiophene
SMILESO=S(=O)(Cl)Oc1ccsc1
InChIInChI=1S/C4H3ClO3S2/c5-10(6,7)8-4-1-2-9-3-4/h1-3H
InChIKeyICZJJZZDOCFZGR-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.61
Rot. Bonds2

About 3-chlorosulfonyloxythiophene

3-chlorosulfonyloxythiophene (PubChem CID 88738110) has the molecular formula C4H3ClO3S2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 3-chlorosulfonyloxythiophene.

Molecular Properties

Compound Name3-chlorosulfonyloxythiophene
PubChem CID88738110
Molecular FormulaC4H3ClO3S2
Molecular Weight198.65 g/mol
Exact Mass197.92
IUPAC Name3-chlorosulfonyloxythiophene
SMILESO=S(=O)(Cl)Oc1ccsc1
InChIInChI=1S/C4H3ClO3S2/c5-10(6,7)8-4-1-2-9-3-4/h1-3H
InChIKeyICZJJZZDOCFZGR-UHFFFAOYSA-N
XLogP1.61
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chlorosulfonyloxythiophene?
The IUPAC name of 3-chlorosulfonyloxythiophene (CID 88738110) is 3-chlorosulfonyloxythiophene.
What is the SMILES notation for 3-chlorosulfonyloxythiophene?
The canonical SMILES for 3-chlorosulfonyloxythiophene is O=S(=O)(Cl)Oc1ccsc1.
What is the InChIKey of 3-chlorosulfonyloxythiophene?
The InChIKey is ICZJJZZDOCFZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClO3S2/c5-10(6,7)8-4-1-2-9-3-4/h1-3H.
What are the key properties of 3-chlorosulfonyloxythiophene?
3-chlorosulfonyloxythiophene has a molecular weight of 198.65 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorosulfonyloxythiophene is sourced from PubChem (CID 88738110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).