2,5,6-trimethyl-3,4-dihydro-2H-thiopyran-3-ol

C8H14OS — CID 130131216

IUPAC2,5,6-trimethyl-3,4-dihydro-2H-thiopyran-3-ol
SMILESCC1=C(C)SC(C)C(O)C1
InChIInChI=1S/C8H14OS/c1-5-4-8(9)7(3)10-6(5)2/h7-9H,4H2,1-3H3
InChIKeyPZLJBEYICKZWGP-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.17
Rot. Bonds

About 2,5,6-trimethyl-3,4-dihydro-2H-thiopyran-3-ol

2,5,6-trimethyl-3,4-dihydro-2H-thiopyran-3-ol (PubChem CID 130131216) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 2,5,6-trimethyl-3,4-dihydro-2H-thiopyran-3-ol.

Molecular Properties

Compound Name2,5,6-trimethyl-3,4-dihydro-2H-thiopyran-3-ol
PubChem CID130131216
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name2,5,6-trimethyl-3,4-dihydro-2H-thiopyran-3-ol
SMILESCC1=C(C)SC(C)C(O)C1
InChIInChI=1S/C8H14OS/c1-5-4-8(9)7(3)10-6(5)2/h7-9H,4H2,1-3H3
InChIKeyPZLJBEYICKZWGP-UHFFFAOYSA-N
XLogP2.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5,6-trihydroxy-3-methylcyclohex-2-en-1-one
CID 78200843
2,5,6-trimethyl-4H-thiopyran-3-one
CID 14046238
1,3-dimethyl-1,4,5,6,7,7a-hexahydro-2-benzothiophene
CID 134526742
2,3,6,7-tetramethyl-1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene
CID 14398334
3,4-dimethylbicyclo[4.1.0]hept-3-ene
CID 12651895
3,4-dimethyl-2,5-dihydrothiophene-2,5-diol
CID 174422646
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
1-[(1R,6R)-6-acetyl-3,4-dimethylcyclohex-3-en-1-yl]ethanone
CID 130648203
1,2,3,4,5-pentamethylcyclohexa-1,3-diene
CID 14737646
(1R,5S)-3,5-dimethylcyclohex-2-en-1-ol
CID 129404741
(1S,2S,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-2,3,5,6,7,8-hexahydro-1H-naphthalene-1,2-diol
CID 102496245
(3S)-1,3-dimethylcyclobutene
CID 58737300

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-3,4-dihydro-2H-thiopyran-3-ol?
The IUPAC name of 2,5,6-trimethyl-3,4-dihydro-2H-thiopyran-3-ol (CID 130131216) is 2,5,6-trimethyl-3,4-dihydro-2H-thiopyran-3-ol.
What is the SMILES notation for 2,5,6-trimethyl-3,4-dihydro-2H-thiopyran-3-ol?
The canonical SMILES for 2,5,6-trimethyl-3,4-dihydro-2H-thiopyran-3-ol is CC1=C(C)SC(C)C(O)C1.
What is the InChIKey of 2,5,6-trimethyl-3,4-dihydro-2H-thiopyran-3-ol?
The InChIKey is PZLJBEYICKZWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-5-4-8(9)7(3)10-6(5)2/h7-9H,4H2,1-3H3.
What are the key properties of 2,5,6-trimethyl-3,4-dihydro-2H-thiopyran-3-ol?
2,5,6-trimethyl-3,4-dihydro-2H-thiopyran-3-ol has a molecular weight of 158.27 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-3,4-dihydro-2H-thiopyran-3-ol is sourced from PubChem (CID 130131216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).