5-ethenyl-2-methyl-6-methylsulfanyl-3,4-dihydro-2H-thiopyran-4-ol

C9H14OS2 — CID 143227009

IUPAC5-ethenyl-2-methyl-6-methylsulfanyl-3,4-dihydro-2H-thiopyran-4-ol
SMILESC=CC1=C(SC)SC(C)CC1O
InChIInChI=1S/C9H14OS2/c1-4-7-8(10)5-6(2)12-9(7)11-3/h4,6,8,10H,1,5H2,2-3H3
InChIKeyBTQBZWCIOBLKFI-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.63
Rot. Bonds2

About 5-ethenyl-2-methyl-6-methylsulfanyl-3,4-dihydro-2H-thiopyran-4-ol

5-ethenyl-2-methyl-6-methylsulfanyl-3,4-dihydro-2H-thiopyran-4-ol (PubChem CID 143227009) has the molecular formula C9H14OS2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 5-ethenyl-2-methyl-6-methylsulfanyl-3,4-dihydro-2H-thiopyran-4-ol.

Molecular Properties

Compound Name5-ethenyl-2-methyl-6-methylsulfanyl-3,4-dihydro-2H-thiopyran-4-ol
PubChem CID143227009
Molecular FormulaC9H14OS2
Molecular Weight202.34 g/mol
Exact Mass202.05
IUPAC Name5-ethenyl-2-methyl-6-methylsulfanyl-3,4-dihydro-2H-thiopyran-4-ol
SMILESC=CC1=C(SC)SC(C)CC1O
InChIInChI=1S/C9H14OS2/c1-4-7-8(10)5-6(2)12-9(7)11-3/h4,6,8,10H,1,5H2,2-3H3
InChIKeyBTQBZWCIOBLKFI-UHFFFAOYSA-N
XLogP2.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-methyl-6-methylsulfanyl-3,4-dihydro-2H-thiopyran-4-ol?
The IUPAC name of 5-ethenyl-2-methyl-6-methylsulfanyl-3,4-dihydro-2H-thiopyran-4-ol (CID 143227009) is 5-ethenyl-2-methyl-6-methylsulfanyl-3,4-dihydro-2H-thiopyran-4-ol.
What is the SMILES notation for 5-ethenyl-2-methyl-6-methylsulfanyl-3,4-dihydro-2H-thiopyran-4-ol?
The canonical SMILES for 5-ethenyl-2-methyl-6-methylsulfanyl-3,4-dihydro-2H-thiopyran-4-ol is C=CC1=C(SC)SC(C)CC1O.
What is the InChIKey of 5-ethenyl-2-methyl-6-methylsulfanyl-3,4-dihydro-2H-thiopyran-4-ol?
The InChIKey is BTQBZWCIOBLKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OS2/c1-4-7-8(10)5-6(2)12-9(7)11-3/h4,6,8,10H,1,5H2,2-3H3.
What are the key properties of 5-ethenyl-2-methyl-6-methylsulfanyl-3,4-dihydro-2H-thiopyran-4-ol?
5-ethenyl-2-methyl-6-methylsulfanyl-3,4-dihydro-2H-thiopyran-4-ol has a molecular weight of 202.34 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-methyl-6-methylsulfanyl-3,4-dihydro-2H-thiopyran-4-ol is sourced from PubChem (CID 143227009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).