2,8,10-trimethyl-9-thiatricyclo[5.3.0.02,5]deca-1(10),7-diene

C12H16S — CID 90201760

IUPAC2,8,10-trimethyl-9-thiatricyclo[5.3.0.02,5]deca-1(10),7-diene
SMILESCc1sc(C)c2c1CC1CCC21C
InChIInChI=1S/C12H16S/c1-7-10-6-9-4-5-12(9,3)11(10)8(2)13-7/h9H,4-6H2,1-3H3
InChIKeyPQNYCNZXJSSOLL-UHFFFAOYSA-N
MW192.33 g/mol
LogP3.59
Rot. Bonds

About 2,8,10-trimethyl-9-thiatricyclo[5.3.0.02,5]deca-1(10),7-diene

2,8,10-trimethyl-9-thiatricyclo[5.3.0.02,5]deca-1(10),7-diene (PubChem CID 90201760) has the molecular formula C12H16S and a molecular weight of 192.33 g/mol. Its IUPAC name is 2,8,10-trimethyl-9-thiatricyclo[5.3.0.02,5]deca-1(10),7-diene.

Molecular Properties

Compound Name2,8,10-trimethyl-9-thiatricyclo[5.3.0.02,5]deca-1(10),7-diene
PubChem CID90201760
Molecular FormulaC12H16S
Molecular Weight192.33 g/mol
Exact Mass192.10
IUPAC Name2,8,10-trimethyl-9-thiatricyclo[5.3.0.02,5]deca-1(10),7-diene
SMILESCc1sc(C)c2c1CC1CCC21C
InChIInChI=1S/C12H16S/c1-7-10-6-9-4-5-12(9,3)11(10)8(2)13-7/h9H,4-6H2,1-3H3
InChIKeyPQNYCNZXJSSOLL-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,8,10-trimethyl-9-thiatricyclo[5.3.0.02,5]deca-1(10),7-diene?
The IUPAC name of 2,8,10-trimethyl-9-thiatricyclo[5.3.0.02,5]deca-1(10),7-diene (CID 90201760) is 2,8,10-trimethyl-9-thiatricyclo[5.3.0.02,5]deca-1(10),7-diene.
What is the SMILES notation for 2,8,10-trimethyl-9-thiatricyclo[5.3.0.02,5]deca-1(10),7-diene?
The canonical SMILES for 2,8,10-trimethyl-9-thiatricyclo[5.3.0.02,5]deca-1(10),7-diene is Cc1sc(C)c2c1CC1CCC21C.
What is the InChIKey of 2,8,10-trimethyl-9-thiatricyclo[5.3.0.02,5]deca-1(10),7-diene?
The InChIKey is PQNYCNZXJSSOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16S/c1-7-10-6-9-4-5-12(9,3)11(10)8(2)13-7/h9H,4-6H2,1-3H3.
What are the key properties of 2,8,10-trimethyl-9-thiatricyclo[5.3.0.02,5]deca-1(10),7-diene?
2,8,10-trimethyl-9-thiatricyclo[5.3.0.02,5]deca-1(10),7-diene has a molecular weight of 192.33 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8,10-trimethyl-9-thiatricyclo[5.3.0.02,5]deca-1(10),7-diene is sourced from PubChem (CID 90201760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).