6-methoxy-2-methylsulfanylcyclohexa-1,3-diene

C8H12OS — CID 123710975

IUPAC6-methoxy-2-methylsulfanylcyclohexa-1,3-diene
SMILESCOC1C=C(SC)C=CC1
InChIInChI=1S/C8H12OS/c1-9-7-4-3-5-8(6-7)10-2/h3,5-7H,4H2,1-2H3
InChIKeyCWRQCYCYWUAMLT-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.21
Rot. Bonds2

About 6-methoxy-2-methylsulfanylcyclohexa-1,3-diene

6-methoxy-2-methylsulfanylcyclohexa-1,3-diene (PubChem CID 123710975) has the molecular formula C8H12OS and a molecular weight of 156.25 g/mol. Its IUPAC name is 6-methoxy-2-methylsulfanylcyclohexa-1,3-diene.

Molecular Properties

Compound Name6-methoxy-2-methylsulfanylcyclohexa-1,3-diene
PubChem CID123710975
Molecular FormulaC8H12OS
Molecular Weight156.25 g/mol
Exact Mass156.06
IUPAC Name6-methoxy-2-methylsulfanylcyclohexa-1,3-diene
SMILESCOC1C=C(SC)C=CC1
InChIInChI=1S/C8H12OS/c1-9-7-4-3-5-8(6-7)10-2/h3,5-7H,4H2,1-2H3
InChIKeyCWRQCYCYWUAMLT-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methylsulfanylcyclohexa-1,3-diene?
The IUPAC name of 6-methoxy-2-methylsulfanylcyclohexa-1,3-diene (CID 123710975) is 6-methoxy-2-methylsulfanylcyclohexa-1,3-diene.
What is the SMILES notation for 6-methoxy-2-methylsulfanylcyclohexa-1,3-diene?
The canonical SMILES for 6-methoxy-2-methylsulfanylcyclohexa-1,3-diene is COC1C=C(SC)C=CC1.
What is the InChIKey of 6-methoxy-2-methylsulfanylcyclohexa-1,3-diene?
The InChIKey is CWRQCYCYWUAMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS/c1-9-7-4-3-5-8(6-7)10-2/h3,5-7H,4H2,1-2H3.
What are the key properties of 6-methoxy-2-methylsulfanylcyclohexa-1,3-diene?
6-methoxy-2-methylsulfanylcyclohexa-1,3-diene has a molecular weight of 156.25 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methylsulfanylcyclohexa-1,3-diene is sourced from PubChem (CID 123710975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).