6-hydroxy-2,5-dimethylcyclohexa-2,4-diene-1-thione

C8H10OS — CID 18407699

IUPAC6-hydroxy-2,5-dimethylcyclohexa-2,4-diene-1-thione
SMILESCC1=CC=C(C)C(O)C1=S
InChIInChI=1S/C8H10OS/c1-5-3-4-6(2)8(10)7(5)9/h3-4,7,9H,1-2H3
InChIKeyNAIYHUZPXMDTKL-UHFFFAOYSA-N
MW154.23 g/mol
LogP1.62
Rot. Bonds

About 6-hydroxy-2,5-dimethylcyclohexa-2,4-diene-1-thione

6-hydroxy-2,5-dimethylcyclohexa-2,4-diene-1-thione (PubChem CID 18407699) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is 6-hydroxy-2,5-dimethylcyclohexa-2,4-diene-1-thione.

Molecular Properties

Compound Name6-hydroxy-2,5-dimethylcyclohexa-2,4-diene-1-thione
PubChem CID18407699
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name6-hydroxy-2,5-dimethylcyclohexa-2,4-diene-1-thione
SMILESCC1=CC=C(C)C(O)C1=S
InChIInChI=1S/C8H10OS/c1-5-3-4-6(2)8(10)7(5)9/h3-4,7,9H,1-2H3
InChIKeyNAIYHUZPXMDTKL-UHFFFAOYSA-N
XLogP1.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-Cyclohexen-1-ol-5-methylene-6-isopropylene
CID 91751033
6-Methylene-2,4-dimethylphenol
CID 20026257
3-Methyl-3,5-cyclohexanedienol
CID 21525082
5-Ethylcyclohexa-2,4-dien-1-ol
CID 70250484
4-(1-Methylethylidene)-2-cyclohexen-1-ol
CID 154827
(1R)-5-ethyl-2-fluorocyclohexa-2,4-dien-1-ol
CID 89324892
1-(5-Fluoro-6-methylcyclohexa-1,5-dien-1-yl)ethanol
CID 142019954
2-Methyl-5-prop-1-en-2-ylcyclohexa-2,4-dien-1-ol
CID 527142
1-Cyclohexa-1,5-dien-1-ylbutan-1-ol
CID 89328454
1-(5-Ethylcyclohexa-1,5-dien-1-yl)ethanol
CID 89393276
2-Ethylcyclohexa-2,4-dien-1-ol
CID 139242870
(1R,2S)-3,6-dimethylcyclohexa-3,5-diene-1,2-diol
CID 10219475

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,5-dimethylcyclohexa-2,4-diene-1-thione?
The IUPAC name of 6-hydroxy-2,5-dimethylcyclohexa-2,4-diene-1-thione (CID 18407699) is 6-hydroxy-2,5-dimethylcyclohexa-2,4-diene-1-thione.
What is the SMILES notation for 6-hydroxy-2,5-dimethylcyclohexa-2,4-diene-1-thione?
The canonical SMILES for 6-hydroxy-2,5-dimethylcyclohexa-2,4-diene-1-thione is CC1=CC=C(C)C(O)C1=S.
What is the InChIKey of 6-hydroxy-2,5-dimethylcyclohexa-2,4-diene-1-thione?
The InChIKey is NAIYHUZPXMDTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS/c1-5-3-4-6(2)8(10)7(5)9/h3-4,7,9H,1-2H3.
What are the key properties of 6-hydroxy-2,5-dimethylcyclohexa-2,4-diene-1-thione?
6-hydroxy-2,5-dimethylcyclohexa-2,4-diene-1-thione has a molecular weight of 154.23 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,5-dimethylcyclohexa-2,4-diene-1-thione is sourced from PubChem (CID 18407699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).