2H-thiopyran 1,1-dioxide;hydrochloride

C5H7ClO2S — CID 162330339

IUPAC2H-thiopyran 1,1-dioxide;hydrochloride
SMILESCl.O=S1(=O)C=CC=CC1
InChIInChI=1S/C5H6O2S.ClH/c6-8(7)4-2-1-3-5-8;/h1-4H,5H2;1H
InChIKeyIEBADJHMLOBYLV-UHFFFAOYSA-N
MW166.63 g/mol
LogP0.91
Rot. Bonds

About 2H-thiopyran 1,1-dioxide;hydrochloride

2H-thiopyran 1,1-dioxide;hydrochloride (PubChem CID 162330339) has the molecular formula C5H7ClO2S and a molecular weight of 166.63 g/mol. Its IUPAC name is 2H-thiopyran 1,1-dioxide;hydrochloride.

Molecular Properties

Compound Name2H-thiopyran 1,1-dioxide;hydrochloride
PubChem CID162330339
Molecular FormulaC5H7ClO2S
Molecular Weight166.63 g/mol
Exact Mass165.99
IUPAC Name2H-thiopyran 1,1-dioxide;hydrochloride
SMILESCl.O=S1(=O)C=CC=CC1
InChIInChI=1S/C5H6O2S.ClH/c6-8(7)4-2-1-3-5-8;/h1-4H,5H2;1H
InChIKeyIEBADJHMLOBYLV-UHFFFAOYSA-N
XLogP0.91
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.63
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-thiopyran 1,1-dioxide;hydrochloride?
The IUPAC name of 2H-thiopyran 1,1-dioxide;hydrochloride (CID 162330339) is 2H-thiopyran 1,1-dioxide;hydrochloride.
What is the SMILES notation for 2H-thiopyran 1,1-dioxide;hydrochloride?
The canonical SMILES for 2H-thiopyran 1,1-dioxide;hydrochloride is Cl.O=S1(=O)C=CC=CC1.
What is the InChIKey of 2H-thiopyran 1,1-dioxide;hydrochloride?
The InChIKey is IEBADJHMLOBYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2S.ClH/c6-8(7)4-2-1-3-5-8;/h1-4H,5H2;1H.
What are the key properties of 2H-thiopyran 1,1-dioxide;hydrochloride?
2H-thiopyran 1,1-dioxide;hydrochloride has a molecular weight of 166.63 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-thiopyran 1,1-dioxide;hydrochloride is sourced from PubChem (CID 162330339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).