5-ethenyl-1,2,3,6-tetrahydropyridine-4-thiol

C7H11NS — CID 88935630

IUPAC5-ethenyl-1,2,3,6-tetrahydropyridine-4-thiol
SMILESC=CC1=C(S)CCNC1
InChIInChI=1S/C7H11NS/c1-2-6-5-8-4-3-7(6)9/h2,8-9H,1,3-5H2
InChIKeyHTZWHDYTUSPLCL-UHFFFAOYSA-N
MW141.24 g/mol
LogP1.35
Rot. Bonds1

About 5-ethenyl-1,2,3,6-tetrahydropyridine-4-thiol

5-ethenyl-1,2,3,6-tetrahydropyridine-4-thiol (PubChem CID 88935630) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 5-ethenyl-1,2,3,6-tetrahydropyridine-4-thiol.

Molecular Properties

Compound Name5-ethenyl-1,2,3,6-tetrahydropyridine-4-thiol
PubChem CID88935630
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name5-ethenyl-1,2,3,6-tetrahydropyridine-4-thiol
SMILESC=CC1=C(S)CCNC1
InChIInChI=1S/C7H11NS/c1-2-6-5-8-4-3-7(6)9/h2,8-9H,1,3-5H2
InChIKeyHTZWHDYTUSPLCL-UHFFFAOYSA-N
XLogP1.35
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1,2,3,6-tetrahydropyridine-4-thiol?
The IUPAC name of 5-ethenyl-1,2,3,6-tetrahydropyridine-4-thiol (CID 88935630) is 5-ethenyl-1,2,3,6-tetrahydropyridine-4-thiol.
What is the SMILES notation for 5-ethenyl-1,2,3,6-tetrahydropyridine-4-thiol?
The canonical SMILES for 5-ethenyl-1,2,3,6-tetrahydropyridine-4-thiol is C=CC1=C(S)CCNC1.
What is the InChIKey of 5-ethenyl-1,2,3,6-tetrahydropyridine-4-thiol?
The InChIKey is HTZWHDYTUSPLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-2-6-5-8-4-3-7(6)9/h2,8-9H,1,3-5H2.
What are the key properties of 5-ethenyl-1,2,3,6-tetrahydropyridine-4-thiol?
5-ethenyl-1,2,3,6-tetrahydropyridine-4-thiol has a molecular weight of 141.24 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1,2,3,6-tetrahydropyridine-4-thiol is sourced from PubChem (CID 88935630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).