5-prop-2-ynyl-2H-thiopyran

C8H8S — CID 56617785

IUPAC5-prop-2-ynyl-2H-thiopyran
SMILESC#CCC1=CSCC=C1
InChIInChI=1S/C8H8S/c1-2-4-8-5-3-6-9-7-8/h1,3,5,7H,4,6H2
InChIKeyHUUSRZFPVUUDJU-UHFFFAOYSA-N
MW136.22 g/mol
LogP2.20
Rot. Bonds1

About 5-prop-2-ynyl-2H-thiopyran

5-prop-2-ynyl-2H-thiopyran (PubChem CID 56617785) has the molecular formula C8H8S and a molecular weight of 136.22 g/mol. Its IUPAC name is 5-prop-2-ynyl-2H-thiopyran.

Molecular Properties

Compound Name5-prop-2-ynyl-2H-thiopyran
PubChem CID56617785
Molecular FormulaC8H8S
Molecular Weight136.22 g/mol
Exact Mass136.03
IUPAC Name5-prop-2-ynyl-2H-thiopyran
SMILESC#CCC1=CSCC=C1
InChIInChI=1S/C8H8S/c1-2-4-8-5-3-6-9-7-8/h1,3,5,7H,4,6H2
InChIKeyHUUSRZFPVUUDJU-UHFFFAOYSA-N
XLogP2.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.22
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-prop-2-ynyl-2H-thiopyran?
The IUPAC name of 5-prop-2-ynyl-2H-thiopyran (CID 56617785) is 5-prop-2-ynyl-2H-thiopyran.
What is the SMILES notation for 5-prop-2-ynyl-2H-thiopyran?
The canonical SMILES for 5-prop-2-ynyl-2H-thiopyran is C#CCC1=CSCC=C1.
What is the InChIKey of 5-prop-2-ynyl-2H-thiopyran?
The InChIKey is HUUSRZFPVUUDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8S/c1-2-4-8-5-3-6-9-7-8/h1,3,5,7H,4,6H2.
What are the key properties of 5-prop-2-ynyl-2H-thiopyran?
5-prop-2-ynyl-2H-thiopyran has a molecular weight of 136.22 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-ynyl-2H-thiopyran is sourced from PubChem (CID 56617785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).