2-(3,4-dihydro-2H-thiopyran-6-yl)ethanol

C7H12OS — CID 123656565

IUPAC2-(3,4-dihydro-2H-thiopyran-6-yl)ethanol
SMILESOCCC1=CCCCS1
InChIInChI=1S/C7H12OS/c8-5-4-7-3-1-2-6-9-7/h3,8H,1-2,4-6H2
InChIKeyDEKSYSKCARWWCC-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.78
Rot. Bonds2

About 2-(3,4-dihydro-2H-thiopyran-6-yl)ethanol

2-(3,4-dihydro-2H-thiopyran-6-yl)ethanol (PubChem CID 123656565) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-thiopyran-6-yl)ethanol.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-thiopyran-6-yl)ethanol
PubChem CID123656565
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name2-(3,4-dihydro-2H-thiopyran-6-yl)ethanol
SMILESOCCC1=CCCCS1
InChIInChI=1S/C7H12OS/c8-5-4-7-3-1-2-6-9-7/h3,8H,1-2,4-6H2
InChIKeyDEKSYSKCARWWCC-UHFFFAOYSA-N
XLogP1.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dihydro-2H-thiopyran-6-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-Dihydro-2-thiophenemethanol
CID 12589175
2-Hydroxymethyl-4-methyl-2,5-dihydrothiophene
CID 12589176
2-Hydroxymethyl-5-methyl-2,5-dihydrothiophene
CID 12589177
2-(2,5-Dihydrothiophen-3-yl)ethanol
CID 20623011
(2-methyl-3,5-dihydro-2H-thiophen-3-id-5-yl)methanol;yttrium
CID 60011711
[(5S)-2-methyl-3,5-dihydro-2H-thiophen-3-id-5-yl]methanol;yttrium
CID 60030282
(5-Methyl-2,3-dihydrothiophen-2-yl)methanol
CID 68051007
2-(2,3-Dihydrothiophen-5-yl)ethanol
CID 89343424
(E)-3-ethenylsulfanylpent-3-en-1-ol
CID 118297060
(5-Methyl-2,3-dihydrothiophen-3-yl)methanol
CID 163822537
3,6-dihydro-2H-thiopyran-2-ol
CID 175748087
2-(2H-thiopyran-2-yl)ethanol
CID 175775699

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-thiopyran-6-yl)ethanol?
The IUPAC name of 2-(3,4-dihydro-2H-thiopyran-6-yl)ethanol (CID 123656565) is 2-(3,4-dihydro-2H-thiopyran-6-yl)ethanol.
What is the SMILES notation for 2-(3,4-dihydro-2H-thiopyran-6-yl)ethanol?
The canonical SMILES for 2-(3,4-dihydro-2H-thiopyran-6-yl)ethanol is OCCC1=CCCCS1.
What is the InChIKey of 2-(3,4-dihydro-2H-thiopyran-6-yl)ethanol?
The InChIKey is DEKSYSKCARWWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c8-5-4-7-3-1-2-6-9-7/h3,8H,1-2,4-6H2.
What are the key properties of 2-(3,4-dihydro-2H-thiopyran-6-yl)ethanol?
2-(3,4-dihydro-2H-thiopyran-6-yl)ethanol has a molecular weight of 144.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-thiopyran-6-yl)ethanol is sourced from PubChem (CID 123656565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).