2-methylsulfinylcyclohexa-1,3-diene

C7H10OS — CID 90854160

IUPAC2-methylsulfinylcyclohexa-1,3-diene
SMILESCS(=O)C1=CCCC=C1
InChIInChI=1S/C7H10OS/c1-9(8)7-5-3-2-4-6-7/h3,5-6H,2,4H2,1H3
InChIKeyKSPOJUDMACNLMS-UHFFFAOYSA-N
MW142.22 g/mol
LogP1.60
Rot. Bonds1

About 2-methylsulfinylcyclohexa-1,3-diene

2-methylsulfinylcyclohexa-1,3-diene (PubChem CID 90854160) has the molecular formula C7H10OS and a molecular weight of 142.22 g/mol. Its IUPAC name is 2-methylsulfinylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-methylsulfinylcyclohexa-1,3-diene
PubChem CID90854160
Molecular FormulaC7H10OS
Molecular Weight142.22 g/mol
Exact Mass142.05
IUPAC Name2-methylsulfinylcyclohexa-1,3-diene
SMILESCS(=O)C1=CCCC=C1
InChIInChI=1S/C7H10OS/c1-9(8)7-5-3-2-4-6-7/h3,5-6H,2,4H2,1H3
InChIKeyKSPOJUDMACNLMS-UHFFFAOYSA-N
XLogP1.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfinylcyclohexa-1,3-diene?
The IUPAC name of 2-methylsulfinylcyclohexa-1,3-diene (CID 90854160) is 2-methylsulfinylcyclohexa-1,3-diene.
What is the SMILES notation for 2-methylsulfinylcyclohexa-1,3-diene?
The canonical SMILES for 2-methylsulfinylcyclohexa-1,3-diene is CS(=O)C1=CCCC=C1.
What is the InChIKey of 2-methylsulfinylcyclohexa-1,3-diene?
The InChIKey is KSPOJUDMACNLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OS/c1-9(8)7-5-3-2-4-6-7/h3,5-6H,2,4H2,1H3.
What are the key properties of 2-methylsulfinylcyclohexa-1,3-diene?
2-methylsulfinylcyclohexa-1,3-diene has a molecular weight of 142.22 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfinylcyclohexa-1,3-diene is sourced from PubChem (CID 90854160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).