10-thiatricyclo[5.4.0.02,8]undeca-3,5-diene

C10H12S — CID 14141774

IUPAC10-thiatricyclo[5.4.0.02,8]undeca-3,5-diene
SMILESC1=CC2C3CSCC2C3C=C1
InChIInChI=1S/C10H12S/c1-2-4-8-9-5-11-6-10(8)7(9)3-1/h1-4,7-10H,5-6H2
InChIKeyZXBOEJMQRWOYPU-UHFFFAOYSA-N
MW164.27 g/mol
LogP2.34
Rot. Bonds

About 10-thiatricyclo[5.4.0.02,8]undeca-3,5-diene

10-thiatricyclo[5.4.0.02,8]undeca-3,5-diene (PubChem CID 14141774) has the molecular formula C10H12S and a molecular weight of 164.27 g/mol. Its IUPAC name is 10-thiatricyclo[5.4.0.02,8]undeca-3,5-diene.

Molecular Properties

Compound Name10-thiatricyclo[5.4.0.02,8]undeca-3,5-diene
PubChem CID14141774
Molecular FormulaC10H12S
Molecular Weight164.27 g/mol
Exact Mass164.07
IUPAC Name10-thiatricyclo[5.4.0.02,8]undeca-3,5-diene
SMILESC1=CC2C3CSCC2C3C=C1
InChIInChI=1S/C10H12S/c1-2-4-8-9-5-11-6-10(8)7(9)3-1/h1-4,7-10H,5-6H2
InChIKeyZXBOEJMQRWOYPU-UHFFFAOYSA-N
XLogP2.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10-thiatricyclo[5.4.0.02,8]undeca-3,5-diene?
The IUPAC name of 10-thiatricyclo[5.4.0.02,8]undeca-3,5-diene (CID 14141774) is 10-thiatricyclo[5.4.0.02,8]undeca-3,5-diene.
What is the SMILES notation for 10-thiatricyclo[5.4.0.02,8]undeca-3,5-diene?
The canonical SMILES for 10-thiatricyclo[5.4.0.02,8]undeca-3,5-diene is C1=CC2C3CSCC2C3C=C1.
What is the InChIKey of 10-thiatricyclo[5.4.0.02,8]undeca-3,5-diene?
The InChIKey is ZXBOEJMQRWOYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S/c1-2-4-8-9-5-11-6-10(8)7(9)3-1/h1-4,7-10H,5-6H2.
What are the key properties of 10-thiatricyclo[5.4.0.02,8]undeca-3,5-diene?
10-thiatricyclo[5.4.0.02,8]undeca-3,5-diene has a molecular weight of 164.27 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-thiatricyclo[5.4.0.02,8]undeca-3,5-diene is sourced from PubChem (CID 14141774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).