10-methyl-3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene

C9H12S2 — CID 173097168

IUPAC10-methyl-3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene
SMILESCC1C2C=CC1C1SCSC21
InChIInChI=1S/C9H12S2/c1-5-6-2-3-7(5)9-8(6)10-4-11-9/h2-3,5-9H,4H2,1H3
InChIKeyNVGWPNHRGXRUAJ-UHFFFAOYSA-N
MW184.33 g/mol
LogP2.61
Rot. Bonds

About 10-methyl-3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene

10-methyl-3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 173097168) has the molecular formula C9H12S2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 10-methyl-3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name10-methyl-3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene
PubChem CID173097168
Molecular FormulaC9H12S2
Molecular Weight184.33 g/mol
Exact Mass184.04
IUPAC Name10-methyl-3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene
SMILESCC1C2C=CC1C1SCSC21
InChIInChI=1S/C9H12S2/c1-5-6-2-3-7(5)9-8(6)10-4-11-9/h2-3,5-9H,4H2,1H3
InChIKeyNVGWPNHRGXRUAJ-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of 10-methyl-3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene (CID 173097168) is 10-methyl-3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for 10-methyl-3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for 10-methyl-3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene is CC1C2C=CC1C1SCSC21.
What is the InChIKey of 10-methyl-3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is NVGWPNHRGXRUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12S2/c1-5-6-2-3-7(5)9-8(6)10-4-11-9/h2-3,5-9H,4H2,1H3.
What are the key properties of 10-methyl-3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene?
10-methyl-3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 184.33 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 173097168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).