5-ethenylsulfinyl-5-methylcyclohexa-1,3-diene

C9H12OS — CID 19363778

IUPAC5-ethenylsulfinyl-5-methylcyclohexa-1,3-diene
SMILESC=CS(=O)C1(C)C=CC=CC1
InChIInChI=1S/C9H12OS/c1-3-11(10)9(2)7-5-4-6-8-9/h3-7H,1,8H2,2H3
InChIKeyCUYKDNQYEBQOLK-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.15
Rot. Bonds2

About 5-ethenylsulfinyl-5-methylcyclohexa-1,3-diene

5-ethenylsulfinyl-5-methylcyclohexa-1,3-diene (PubChem CID 19363778) has the molecular formula C9H12OS and a molecular weight of 168.26 g/mol. Its IUPAC name is 5-ethenylsulfinyl-5-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-ethenylsulfinyl-5-methylcyclohexa-1,3-diene
PubChem CID19363778
Molecular FormulaC9H12OS
Molecular Weight168.26 g/mol
Exact Mass168.06
IUPAC Name5-ethenylsulfinyl-5-methylcyclohexa-1,3-diene
SMILESC=CS(=O)C1(C)C=CC=CC1
InChIInChI=1S/C9H12OS/c1-3-11(10)9(2)7-5-4-6-8-9/h3-7H,1,8H2,2H3
InChIKeyCUYKDNQYEBQOLK-UHFFFAOYSA-N
XLogP2.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethenylsulfinyl-5-methylcyclohexa-1,3-diene?
The IUPAC name of 5-ethenylsulfinyl-5-methylcyclohexa-1,3-diene (CID 19363778) is 5-ethenylsulfinyl-5-methylcyclohexa-1,3-diene.
What is the SMILES notation for 5-ethenylsulfinyl-5-methylcyclohexa-1,3-diene?
The canonical SMILES for 5-ethenylsulfinyl-5-methylcyclohexa-1,3-diene is C=CS(=O)C1(C)C=CC=CC1.
What is the InChIKey of 5-ethenylsulfinyl-5-methylcyclohexa-1,3-diene?
The InChIKey is CUYKDNQYEBQOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OS/c1-3-11(10)9(2)7-5-4-6-8-9/h3-7H,1,8H2,2H3.
What are the key properties of 5-ethenylsulfinyl-5-methylcyclohexa-1,3-diene?
5-ethenylsulfinyl-5-methylcyclohexa-1,3-diene has a molecular weight of 168.26 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenylsulfinyl-5-methylcyclohexa-1,3-diene is sourced from PubChem (CID 19363778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).