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

C9H14S — CID 91241824

IUPAC2,6-dimethyl-1-methylsulfanylcyclohexa-1,3-diene
SMILESCSC1=C(C)C=CCC1C
InChIInChI=1S/C9H14S/c1-7-5-4-6-8(2)9(7)10-3/h4-5,8H,6H2,1-3H3
InChIKeyMYHMHSBWEIOIHY-UHFFFAOYSA-N
MW154.28 g/mol
LogP3.22
Rot. Bonds1

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

2,6-dimethyl-1-methylsulfanylcyclohexa-1,3-diene (PubChem CID 91241824) has the molecular formula C9H14S and a molecular weight of 154.28 g/mol. Its IUPAC name is 2,6-dimethyl-1-methylsulfanylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2,6-dimethyl-1-methylsulfanylcyclohexa-1,3-diene
PubChem CID91241824
Molecular FormulaC9H14S
Molecular Weight154.28 g/mol
Exact Mass154.08
IUPAC Name2,6-dimethyl-1-methylsulfanylcyclohexa-1,3-diene
SMILESCSC1=C(C)C=CCC1C
InChIInChI=1S/C9H14S/c1-7-5-4-6-8(2)9(7)10-3/h4-5,8H,6H2,1-3H3
InChIKeyMYHMHSBWEIOIHY-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-methylsulfanylcyclohexa-1,3-diene?
The IUPAC name of 2,6-dimethyl-1-methylsulfanylcyclohexa-1,3-diene (CID 91241824) is 2,6-dimethyl-1-methylsulfanylcyclohexa-1,3-diene.
What is the SMILES notation for 2,6-dimethyl-1-methylsulfanylcyclohexa-1,3-diene?
The canonical SMILES for 2,6-dimethyl-1-methylsulfanylcyclohexa-1,3-diene is CSC1=C(C)C=CCC1C.
What is the InChIKey of 2,6-dimethyl-1-methylsulfanylcyclohexa-1,3-diene?
The InChIKey is MYHMHSBWEIOIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S/c1-7-5-4-6-8(2)9(7)10-3/h4-5,8H,6H2,1-3H3.
What are the key properties of 2,6-dimethyl-1-methylsulfanylcyclohexa-1,3-diene?
2,6-dimethyl-1-methylsulfanylcyclohexa-1,3-diene has a molecular weight of 154.28 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-methylsulfanylcyclohexa-1,3-diene is sourced from PubChem (CID 91241824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).