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

C10H10S — CID 143599885

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC8-methyl-7-thiatricyclo[4.3.1.01,6]deca-2,4,8-triene
SMILESCC1=CC23C=CC=CC2(C3)S1
InChIInChI=1S/C10H10S/c1-8-6-9-4-2-3-5-10(9,7-9)11-8/h2-6H,7H2,1H3
InChIKeyJJJBJTNFKWFXNB-UHFFFAOYSA-N
MW162.26 g/mol
LogP2.89
Rot. Bonds

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

8-methyl-7-thiatricyclo[4.3.1.01,6]deca-2,4,8-triene (PubChem CID 143599885) has the molecular formula C10H10S and a molecular weight of 162.26 g/mol. Its IUPAC name is 8-methyl-7-thiatricyclo[4.3.1.01,6]deca-2,4,8-triene.

Molecular Properties

Compound Name8-methyl-7-thiatricyclo[4.3.1.01,6]deca-2,4,8-triene
PubChem CID143599885
Molecular FormulaC10H10S
Molecular Weight162.26 g/mol
Exact Mass162.05
IUPAC Name8-methyl-7-thiatricyclo[4.3.1.01,6]deca-2,4,8-triene
SMILESCC1=CC23C=CC=CC2(C3)S1
InChIInChI=1S/C10H10S/c1-8-6-9-4-2-3-5-10(9,7-9)11-8/h2-6H,7H2,1H3
InChIKeyJJJBJTNFKWFXNB-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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-thiatricyclo[4.3.1.01,6]deca-2,4,8-triene?
The IUPAC name of 8-methyl-7-thiatricyclo[4.3.1.01,6]deca-2,4,8-triene (CID 143599885) is 8-methyl-7-thiatricyclo[4.3.1.01,6]deca-2,4,8-triene.
What is the SMILES notation for 8-methyl-7-thiatricyclo[4.3.1.01,6]deca-2,4,8-triene?
The canonical SMILES for 8-methyl-7-thiatricyclo[4.3.1.01,6]deca-2,4,8-triene is CC1=CC23C=CC=CC2(C3)S1.
What is the InChIKey of 8-methyl-7-thiatricyclo[4.3.1.01,6]deca-2,4,8-triene?
The InChIKey is JJJBJTNFKWFXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10S/c1-8-6-9-4-2-3-5-10(9,7-9)11-8/h2-6H,7H2,1H3.
What are the key properties of 8-methyl-7-thiatricyclo[4.3.1.01,6]deca-2,4,8-triene?
8-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 8-methyl-7-thiatricyclo[4.3.1.01,6]deca-2,4,8-triene is sourced from PubChem (CID 143599885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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