6,6,12,12-tetramethyl-9-thiatricyclo[8.5.0.02,8]pentadeca-1(15),2,4,7,10,13-hexaene

C18H20S — CID 129089719

IUPAC6,6,12,12-tetramethyl-9-thiatricyclo[8.5.0.02,8]pentadeca-1(15),2,4,7,10,13-hexaene
SMILESCC1(C)C=CC=c2c(sc3c2=CC=CC(C)(C)C=3)=C1
InChIInChI=1S/C18H20S/c1-17(2)9-5-7-13-14-8-6-10-18(3,4)12-16(14)19-15(13)11-17/h5-12H,1-4H3
InChIKeyPRJMAJXYEDSQFR-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.06
Rot. Bonds

About 6,6,12,12-tetramethyl-9-thiatricyclo[8.5.0.02,8]pentadeca-1(15),2,4,7,10,13-hexaene

6,6,12,12-tetramethyl-9-thiatricyclo[8.5.0.02,8]pentadeca-1(15),2,4,7,10,13-hexaene (PubChem CID 129089719) has the molecular formula C18H20S and a molecular weight of 268.43 g/mol. Its IUPAC name is 6,6,12,12-tetramethyl-9-thiatricyclo[8.5.0.02,8]pentadeca-1(15),2,4,7,10,13-hexaene.

Molecular Properties

Compound Name6,6,12,12-tetramethyl-9-thiatricyclo[8.5.0.02,8]pentadeca-1(15),2,4,7,10,13-hexaene
PubChem CID129089719
Molecular FormulaC18H20S
Molecular Weight268.43 g/mol
Exact Mass268.13
IUPAC Name6,6,12,12-tetramethyl-9-thiatricyclo[8.5.0.02,8]pentadeca-1(15),2,4,7,10,13-hexaene
SMILESCC1(C)C=CC=c2c(sc3c2=CC=CC(C)(C)C=3)=C1
InChIInChI=1S/C18H20S/c1-17(2)9-5-7-13-14-8-6-10-18(3,4)12-16(14)19-15(13)11-17/h5-12H,1-4H3
InChIKeyPRJMAJXYEDSQFR-UHFFFAOYSA-N
XLogP2.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6,6,12,12-tetramethyl-9-thiatricyclo[8.5.0.02,8]pentadeca-1(15),2,4,7,10,13-hexaene 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 6,6,12,12-tetramethyl-9-thiatricyclo[8.5.0.02,8]pentadeca-1(15),2,4,7,10,13-hexaene?
The IUPAC name of 6,6,12,12-tetramethyl-9-thiatricyclo[8.5.0.02,8]pentadeca-1(15),2,4,7,10,13-hexaene (CID 129089719) is 6,6,12,12-tetramethyl-9-thiatricyclo[8.5.0.02,8]pentadeca-1(15),2,4,7,10,13-hexaene.
What is the SMILES notation for 6,6,12,12-tetramethyl-9-thiatricyclo[8.5.0.02,8]pentadeca-1(15),2,4,7,10,13-hexaene?
The canonical SMILES for 6,6,12,12-tetramethyl-9-thiatricyclo[8.5.0.02,8]pentadeca-1(15),2,4,7,10,13-hexaene is CC1(C)C=CC=c2c(sc3c2=CC=CC(C)(C)C=3)=C1.
What is the InChIKey of 6,6,12,12-tetramethyl-9-thiatricyclo[8.5.0.02,8]pentadeca-1(15),2,4,7,10,13-hexaene?
The InChIKey is PRJMAJXYEDSQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20S/c1-17(2)9-5-7-13-14-8-6-10-18(3,4)12-16(14)19-15(13)11-17/h5-12H,1-4H3.
What are the key properties of 6,6,12,12-tetramethyl-9-thiatricyclo[8.5.0.02,8]pentadeca-1(15),2,4,7,10,13-hexaene?
6,6,12,12-tetramethyl-9-thiatricyclo[8.5.0.02,8]pentadeca-1(15),2,4,7,10,13-hexaene has a molecular weight of 268.43 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,12,12-tetramethyl-9-thiatricyclo[8.5.0.02,8]pentadeca-1(15),2,4,7,10,13-hexaene is sourced from PubChem (CID 129089719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).