5,6,7,8-tetrahydro-4H-thiopyrano[3,2-c]pyridine;hydrochloride

C8H12ClNS — CID 66633422

IUPAC5,6,7,8-tetrahydro-4H-thiopyrano[3,2-c]pyridine;hydrochloride
SMILESC1=CSC2=C(C1)CNCC2.Cl
InChIInChI=1S/C8H11NS.ClH/c1-2-7-6-9-4-3-8(7)10-5-1;/h1,5,9H,2-4,6H2;1H
InChIKeyZIIXWDRDTDYINS-UHFFFAOYSA-N
MW189.71 g/mol
LogP2.31
Rot. Bonds

About 5,6,7,8-tetrahydro-4H-thiopyrano[3,2-c]pyridine;hydrochloride

5,6,7,8-tetrahydro-4H-thiopyrano[3,2-c]pyridine;hydrochloride (PubChem CID 66633422) has the molecular formula C8H12ClNS and a molecular weight of 189.71 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-4H-thiopyrano[3,2-c]pyridine;hydrochloride.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-4H-thiopyrano[3,2-c]pyridine;hydrochloride
PubChem CID66633422
Molecular FormulaC8H12ClNS
Molecular Weight189.71 g/mol
Exact Mass189.04
IUPAC Name5,6,7,8-tetrahydro-4H-thiopyrano[3,2-c]pyridine;hydrochloride
SMILESC1=CSC2=C(C1)CNCC2.Cl
InChIInChI=1S/C8H11NS.ClH/c1-2-7-6-9-4-3-8(7)10-5-1;/h1,5,9H,2-4,6H2;1H
InChIKeyZIIXWDRDTDYINS-UHFFFAOYSA-N
XLogP2.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.71
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-4H-thiopyrano[3,2-c]pyridine;hydrochloride?
The IUPAC name of 5,6,7,8-tetrahydro-4H-thiopyrano[3,2-c]pyridine;hydrochloride (CID 66633422) is 5,6,7,8-tetrahydro-4H-thiopyrano[3,2-c]pyridine;hydrochloride.
What is the SMILES notation for 5,6,7,8-tetrahydro-4H-thiopyrano[3,2-c]pyridine;hydrochloride?
The canonical SMILES for 5,6,7,8-tetrahydro-4H-thiopyrano[3,2-c]pyridine;hydrochloride is C1=CSC2=C(C1)CNCC2.Cl.
What is the InChIKey of 5,6,7,8-tetrahydro-4H-thiopyrano[3,2-c]pyridine;hydrochloride?
The InChIKey is ZIIXWDRDTDYINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS.ClH/c1-2-7-6-9-4-3-8(7)10-5-1;/h1,5,9H,2-4,6H2;1H.
What are the key properties of 5,6,7,8-tetrahydro-4H-thiopyrano[3,2-c]pyridine;hydrochloride?
5,6,7,8-tetrahydro-4H-thiopyrano[3,2-c]pyridine;hydrochloride has a molecular weight of 189.71 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-4H-thiopyrano[3,2-c]pyridine;hydrochloride is sourced from PubChem (CID 66633422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).