5-methyl-1-methylsulfanylcyclohexa-2,4-dien-1-ol

C8H12OS — CID 173277274

IUPAC5-methyl-1-methylsulfanylcyclohexa-2,4-dien-1-ol
SMILESCSC1(O)C=CC=C(C)C1
InChIInChI=1S/C8H12OS/c1-7-4-3-5-8(9,6-7)10-2/h3-5,9H,6H2,1-2H3
InChIKeyQZXDDZLOETXRDR-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.94
Rot. Bonds1

About 5-methyl-1-methylsulfanylcyclohexa-2,4-dien-1-ol

5-methyl-1-methylsulfanylcyclohexa-2,4-dien-1-ol (PubChem CID 173277274) has the molecular formula C8H12OS and a molecular weight of 156.25 g/mol. Its IUPAC name is 5-methyl-1-methylsulfanylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name5-methyl-1-methylsulfanylcyclohexa-2,4-dien-1-ol
PubChem CID173277274
Molecular FormulaC8H12OS
Molecular Weight156.25 g/mol
Exact Mass156.06
IUPAC Name5-methyl-1-methylsulfanylcyclohexa-2,4-dien-1-ol
SMILESCSC1(O)C=CC=C(C)C1
InChIInChI=1S/C8H12OS/c1-7-4-3-5-8(9,6-7)10-2/h3-5,9H,6H2,1-2H3
InChIKeyQZXDDZLOETXRDR-UHFFFAOYSA-N
XLogP1.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-methylsulfanylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 5-methyl-1-methylsulfanylcyclohexa-2,4-dien-1-ol (CID 173277274) is 5-methyl-1-methylsulfanylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 5-methyl-1-methylsulfanylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 5-methyl-1-methylsulfanylcyclohexa-2,4-dien-1-ol is CSC1(O)C=CC=C(C)C1.
What is the InChIKey of 5-methyl-1-methylsulfanylcyclohexa-2,4-dien-1-ol?
The InChIKey is QZXDDZLOETXRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS/c1-7-4-3-5-8(9,6-7)10-2/h3-5,9H,6H2,1-2H3.
What are the key properties of 5-methyl-1-methylsulfanylcyclohexa-2,4-dien-1-ol?
5-methyl-1-methylsulfanylcyclohexa-2,4-dien-1-ol has a molecular weight of 156.25 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-methylsulfanylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 173277274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).