9-methyl-7-thiatricyclo[4.3.1.01,6]deca-2,4,8-triene

C10H10S — CID 143536615

IUPAC9-methyl-7-thiatricyclo[4.3.1.01,6]deca-2,4,8-triene
SMILESCC1=CSC23C=CC=CC12C3
InChIInChI=1S/C10H10S/c1-8-6-11-10-5-3-2-4-9(8,10)7-10/h2-6H,7H2,1H3
InChIKeyJAIIEXTTXFITMX-UHFFFAOYSA-N
MW162.26 g/mol
LogP2.89
Rot. Bonds

About 9-methyl-7-thiatricyclo[4.3.1.01,6]deca-2,4,8-triene

9-methyl-7-thiatricyclo[4.3.1.01,6]deca-2,4,8-triene (PubChem CID 143536615) has the molecular formula C10H10S and a molecular weight of 162.26 g/mol. Its IUPAC name is 9-methyl-7-thiatricyclo[4.3.1.01,6]deca-2,4,8-triene.

Molecular Properties

Compound Name9-methyl-7-thiatricyclo[4.3.1.01,6]deca-2,4,8-triene
PubChem CID143536615
Molecular FormulaC10H10S
Molecular Weight162.26 g/mol
Exact Mass162.05
IUPAC Name9-methyl-7-thiatricyclo[4.3.1.01,6]deca-2,4,8-triene
SMILESCC1=CSC23C=CC=CC12C3
InChIInChI=1S/C10H10S/c1-8-6-11-10-5-3-2-4-9(8,10)7-10/h2-6H,7H2,1H3
InChIKeyJAIIEXTTXFITMX-UHFFFAOYSA-N
XLogP2.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-methyl-7-thiatricyclo[4.3.1.01,6]deca-2,4,8-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-methyl-7-thiatricyclo[4.3.1.01,6]deca-2,4,8-triene?
The IUPAC name of 9-methyl-7-thiatricyclo[4.3.1.01,6]deca-2,4,8-triene (CID 143536615) is 9-methyl-7-thiatricyclo[4.3.1.01,6]deca-2,4,8-triene.
What is the SMILES notation for 9-methyl-7-thiatricyclo[4.3.1.01,6]deca-2,4,8-triene?
The canonical SMILES for 9-methyl-7-thiatricyclo[4.3.1.01,6]deca-2,4,8-triene is CC1=CSC23C=CC=CC12C3.
What is the InChIKey of 9-methyl-7-thiatricyclo[4.3.1.01,6]deca-2,4,8-triene?
The InChIKey is JAIIEXTTXFITMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10S/c1-8-6-11-10-5-3-2-4-9(8,10)7-10/h2-6H,7H2,1H3.
What are the key properties of 9-methyl-7-thiatricyclo[4.3.1.01,6]deca-2,4,8-triene?
9-methyl-7-thiatricyclo[4.3.1.01,6]deca-2,4,8-triene has a molecular weight of 162.26 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-7-thiatricyclo[4.3.1.01,6]deca-2,4,8-triene is sourced from PubChem (CID 143536615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).