3-(5-chloro-1,2,4-thiadiazol-3-yl)thiolane 1,1-dioxide

C6H7ClN2O2S2 — CID 115337631

IUPAC3-(5-chloro-1,2,4-thiadiazol-3-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(c2nsc(Cl)n2)C1
InChIInChI=1S/C6H7ClN2O2S2/c7-6-8-5(9-12-6)4-1-2-13(10,11)3-4/h4H,1-3H2
InChIKeyCGNUDPRREAWYGZ-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.09
Rot. Bonds1

About 3-(5-chloro-1,2,4-thiadiazol-3-yl)thiolane 1,1-dioxide

3-(5-chloro-1,2,4-thiadiazol-3-yl)thiolane 1,1-dioxide (PubChem CID 115337631) has the molecular formula C6H7ClN2O2S2 and a molecular weight of 238.72 g/mol. Its IUPAC name is 3-(5-chloro-1,2,4-thiadiazol-3-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(5-chloro-1,2,4-thiadiazol-3-yl)thiolane 1,1-dioxide
PubChem CID115337631
Molecular FormulaC6H7ClN2O2S2
Molecular Weight238.72 g/mol
Exact Mass237.96
IUPAC Name3-(5-chloro-1,2,4-thiadiazol-3-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(c2nsc(Cl)n2)C1
InChIInChI=1S/C6H7ClN2O2S2/c7-6-8-5(9-12-6)4-1-2-13(10,11)3-4/h4H,1-3H2
InChIKeyCGNUDPRREAWYGZ-UHFFFAOYSA-N
XLogP1.09
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1,2,4-thiadiazol-3-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(5-chloro-1,2,4-thiadiazol-3-yl)thiolane 1,1-dioxide (CID 115337631) is 3-(5-chloro-1,2,4-thiadiazol-3-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(5-chloro-1,2,4-thiadiazol-3-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(5-chloro-1,2,4-thiadiazol-3-yl)thiolane 1,1-dioxide is O=S1(=O)CCC(c2nsc(Cl)n2)C1.
What is the InChIKey of 3-(5-chloro-1,2,4-thiadiazol-3-yl)thiolane 1,1-dioxide?
The InChIKey is CGNUDPRREAWYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2S2/c7-6-8-5(9-12-6)4-1-2-13(10,11)3-4/h4H,1-3H2.
What are the key properties of 3-(5-chloro-1,2,4-thiadiazol-3-yl)thiolane 1,1-dioxide?
3-(5-chloro-1,2,4-thiadiazol-3-yl)thiolane 1,1-dioxide has a molecular weight of 238.72 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1,2,4-thiadiazol-3-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 115337631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).