3-chloro-1,1-dioxido-2,5-dihydrothiophene

C4H5ClO2S-2 — CID 53406747

IUPAC3-chloro-1,1-dioxido-2,5-dihydrothiophene
SMILES[O-]S1([O-])CC=C(Cl)C1
InChIInChI=1S/C4H7ClO2S/c5-4-1-2-8(6,7)3-4/h1,6-7H,2-3H2/p-2
InChIKeyCGODPLBOTOUWLS-UHFFFAOYSA-L
MW152.60 g/mol
LogP1.19
Rot. Bonds

About 3-chloro-1,1-dioxido-2,5-dihydrothiophene

3-chloro-1,1-dioxido-2,5-dihydrothiophene (PubChem CID 53406747) has the molecular formula C4H5ClO2S-2 and a molecular weight of 152.60 g/mol. Its IUPAC name is 3-chloro-1,1-dioxido-2,5-dihydrothiophene.

Molecular Properties

Compound Name3-chloro-1,1-dioxido-2,5-dihydrothiophene
PubChem CID53406747
Molecular FormulaC4H5ClO2S-2
Molecular Weight152.60 g/mol
Exact Mass151.97
IUPAC Name3-chloro-1,1-dioxido-2,5-dihydrothiophene
SMILES[O-]S1([O-])CC=C(Cl)C1
InChIInChI=1S/C4H7ClO2S/c5-4-1-2-8(6,7)3-4/h1,6-7H,2-3H2/p-2
InChIKeyCGODPLBOTOUWLS-UHFFFAOYSA-L
XLogP1.19
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.60
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,1-dioxido-2,5-dihydrothiophene?
The IUPAC name of 3-chloro-1,1-dioxido-2,5-dihydrothiophene (CID 53406747) is 3-chloro-1,1-dioxido-2,5-dihydrothiophene.
What is the SMILES notation for 3-chloro-1,1-dioxido-2,5-dihydrothiophene?
The canonical SMILES for 3-chloro-1,1-dioxido-2,5-dihydrothiophene is [O-]S1([O-])CC=C(Cl)C1.
What is the InChIKey of 3-chloro-1,1-dioxido-2,5-dihydrothiophene?
The InChIKey is CGODPLBOTOUWLS-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H7ClO2S/c5-4-1-2-8(6,7)3-4/h1,6-7H,2-3H2/p-2.
What are the key properties of 3-chloro-1,1-dioxido-2,5-dihydrothiophene?
3-chloro-1,1-dioxido-2,5-dihydrothiophene has a molecular weight of 152.60 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,1-dioxido-2,5-dihydrothiophene is sourced from PubChem (CID 53406747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).