2H-thiopyran;hydrochloride

C5H7ClS — CID 67590811

IUPAC2H-thiopyran;hydrochloride
SMILESC1=CCSC=C1.Cl
InChIInChI=1S/C5H6S.ClH/c1-2-4-6-5-3-1;/h1-4H,5H2;1H
InChIKeyKQDVAKBJCMTTQE-UHFFFAOYSA-N
MW134.63 g/mol
LogP2.22
Rot. Bonds

About 2H-thiopyran;hydrochloride

2H-thiopyran;hydrochloride (PubChem CID 67590811) has the molecular formula C5H7ClS and a molecular weight of 134.63 g/mol. Its IUPAC name is 2H-thiopyran;hydrochloride.

Molecular Properties

Compound Name2H-thiopyran;hydrochloride
PubChem CID67590811
Molecular FormulaC5H7ClS
Molecular Weight134.63 g/mol
Exact Mass134.00
IUPAC Name2H-thiopyran;hydrochloride
SMILESC1=CCSC=C1.Cl
InChIInChI=1S/C5H6S.ClH/c1-2-4-6-5-3-1;/h1-4H,5H2;1H
InChIKeyKQDVAKBJCMTTQE-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.63
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2H-thiopyran;hydrochloride?
The IUPAC name of 2H-thiopyran;hydrochloride (CID 67590811) is 2H-thiopyran;hydrochloride.
What is the SMILES notation for 2H-thiopyran;hydrochloride?
The canonical SMILES for 2H-thiopyran;hydrochloride is C1=CCSC=C1.Cl.
What is the InChIKey of 2H-thiopyran;hydrochloride?
The InChIKey is KQDVAKBJCMTTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6S.ClH/c1-2-4-6-5-3-1;/h1-4H,5H2;1H.
What are the key properties of 2H-thiopyran;hydrochloride?
2H-thiopyran;hydrochloride has a molecular weight of 134.63 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-thiopyran;hydrochloride is sourced from PubChem (CID 67590811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).