5,6-dimethyl-4,6-bis(methylsulfanyl)cyclohexa-2,4-dien-1-ol

C10H16OS2 — CID 70483330

IUPAC5,6-dimethyl-4,6-bis(methylsulfanyl)cyclohexa-2,4-dien-1-ol
SMILESCSC1=C(C)C(C)(SC)C(O)C=C1
InChIInChI=1S/C10H16OS2/c1-7-8(12-3)5-6-9(11)10(7,2)13-4/h5-6,9,11H,1-4H3
InChIKeyUWWBQBFPNZIQDW-UHFFFAOYSA-N
MW216.37 g/mol
LogP2.68
Rot. Bonds2

About 5,6-dimethyl-4,6-bis(methylsulfanyl)cyclohexa-2,4-dien-1-ol

5,6-dimethyl-4,6-bis(methylsulfanyl)cyclohexa-2,4-dien-1-ol (PubChem CID 70483330) has the molecular formula C10H16OS2 and a molecular weight of 216.37 g/mol. Its IUPAC name is 5,6-dimethyl-4,6-bis(methylsulfanyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name5,6-dimethyl-4,6-bis(methylsulfanyl)cyclohexa-2,4-dien-1-ol
PubChem CID70483330
Molecular FormulaC10H16OS2
Molecular Weight216.37 g/mol
Exact Mass216.06
IUPAC Name5,6-dimethyl-4,6-bis(methylsulfanyl)cyclohexa-2,4-dien-1-ol
SMILESCSC1=C(C)C(C)(SC)C(O)C=C1
InChIInChI=1S/C10H16OS2/c1-7-8(12-3)5-6-9(11)10(7,2)13-4/h5-6,9,11H,1-4H3
InChIKeyUWWBQBFPNZIQDW-UHFFFAOYSA-N
XLogP2.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4,6-bis(methylsulfanyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 5,6-dimethyl-4,6-bis(methylsulfanyl)cyclohexa-2,4-dien-1-ol (CID 70483330) is 5,6-dimethyl-4,6-bis(methylsulfanyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 5,6-dimethyl-4,6-bis(methylsulfanyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 5,6-dimethyl-4,6-bis(methylsulfanyl)cyclohexa-2,4-dien-1-ol is CSC1=C(C)C(C)(SC)C(O)C=C1.
What is the InChIKey of 5,6-dimethyl-4,6-bis(methylsulfanyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is UWWBQBFPNZIQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS2/c1-7-8(12-3)5-6-9(11)10(7,2)13-4/h5-6,9,11H,1-4H3.
What are the key properties of 5,6-dimethyl-4,6-bis(methylsulfanyl)cyclohexa-2,4-dien-1-ol?
5,6-dimethyl-4,6-bis(methylsulfanyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 216.37 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4,6-bis(methylsulfanyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 70483330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).