1-(2H-thiopyran-4-yl)prop-2-yn-1-ol

C8H8OS — CID 87769185

IUPAC1-(2H-thiopyran-4-yl)prop-2-yn-1-ol
SMILESC#CC(O)C1=CCSC=C1
InChIInChI=1S/C8H8OS/c1-2-8(9)7-3-5-10-6-4-7/h1,3-5,8-9H,6H2
InChIKeyUYVSYXWHEPCYFB-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.17
Rot. Bonds1

About 1-(2H-thiopyran-4-yl)prop-2-yn-1-ol

1-(2H-thiopyran-4-yl)prop-2-yn-1-ol (PubChem CID 87769185) has the molecular formula C8H8OS and a molecular weight of 152.22 g/mol. Its IUPAC name is 1-(2H-thiopyran-4-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name1-(2H-thiopyran-4-yl)prop-2-yn-1-ol
PubChem CID87769185
Molecular FormulaC8H8OS
Molecular Weight152.22 g/mol
Exact Mass152.03
IUPAC Name1-(2H-thiopyran-4-yl)prop-2-yn-1-ol
SMILESC#CC(O)C1=CCSC=C1
InChIInChI=1S/C8H8OS/c1-2-8(9)7-3-5-10-6-4-7/h1,3-5,8-9H,6H2
InChIKeyUYVSYXWHEPCYFB-UHFFFAOYSA-N
XLogP1.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(2H-thiopyran-4-yl)prop-2-yn-1-ol?
The IUPAC name of 1-(2H-thiopyran-4-yl)prop-2-yn-1-ol (CID 87769185) is 1-(2H-thiopyran-4-yl)prop-2-yn-1-ol.
What is the SMILES notation for 1-(2H-thiopyran-4-yl)prop-2-yn-1-ol?
The canonical SMILES for 1-(2H-thiopyran-4-yl)prop-2-yn-1-ol is C#CC(O)C1=CCSC=C1.
What is the InChIKey of 1-(2H-thiopyran-4-yl)prop-2-yn-1-ol?
The InChIKey is UYVSYXWHEPCYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8OS/c1-2-8(9)7-3-5-10-6-4-7/h1,3-5,8-9H,6H2.
What are the key properties of 1-(2H-thiopyran-4-yl)prop-2-yn-1-ol?
1-(2H-thiopyran-4-yl)prop-2-yn-1-ol has a molecular weight of 152.22 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-thiopyran-4-yl)prop-2-yn-1-ol is sourced from PubChem (CID 87769185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).