2,4,10,12,14,16,22,24-octathiatetracyclo[11.11.0.03,23.011,15]tetracosa-1(13),3(23),11(15)-triene

C16H20S8 — CID 10624148

IUPAC2,4,10,12,14,16,22,24-octathiatetracyclo[11.11.0.03,23.011,15]tetracosa-1(13),3(23),11(15)-triene
SMILESC1CCSC2=C3SCCCCCSC4=C(SCC1)SC(=C(S2)S3)S4
InChIInChI=1S/C16H20S8/c1-3-7-17-11-13-19-9-5-2-6-10-20-14-12(18-8-4-1)22-16(24-14)15(21-11)23-13/h1-10H2/b16-15+
InChIKeyDHKHRHSGDIMJHG-FOCLMDBBSA-N
MW468.87 g/mol
LogP8.63
Rot. Bonds

About 2,4,10,12,14,16,22,24-octathiatetracyclo[11.11.0.03,23.011,15]tetracosa-1(13),3(23),11(15)-triene

2,4,10,12,14,16,22,24-octathiatetracyclo[11.11.0.03,23.011,15]tetracosa-1(13),3(23),11(15)-triene (PubChem CID 10624148) has the molecular formula C16H20S8 and a molecular weight of 468.87 g/mol. Its IUPAC name is 2,4,10,12,14,16,22,24-octathiatetracyclo[11.11.0.03,23.011,15]tetracosa-1(13),3(23),11(15)-triene.

Molecular Properties

Compound Name2,4,10,12,14,16,22,24-octathiatetracyclo[11.11.0.03,23.011,15]tetracosa-1(13),3(23),11(15)-triene
PubChem CID10624148
Molecular FormulaC16H20S8
Molecular Weight468.87 g/mol
Exact Mass467.93
IUPAC Name2,4,10,12,14,16,22,24-octathiatetracyclo[11.11.0.03,23.011,15]tetracosa-1(13),3(23),11(15)-triene
SMILESC1CCSC2=C3SCCCCCSC4=C(SCC1)SC(=C(S2)S3)S4
InChIInChI=1S/C16H20S8/c1-3-7-17-11-13-19-9-5-2-6-10-20-14-12(18-8-4-1)22-16(24-14)15(21-11)23-13/h1-10H2/b16-15+
InChIKeyDHKHRHSGDIMJHG-FOCLMDBBSA-N
XLogP8.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.87
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,4,10,12,14,16,22,24-octathiatetracyclo[11.11.0.03,23.011,15]tetracosa-1(13),3(23),11(15)-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 2,4,10,12,14,16,22,24-octathiatetracyclo[11.11.0.03,23.011,15]tetracosa-1(13),3(23),11(15)-triene?
The IUPAC name of 2,4,10,12,14,16,22,24-octathiatetracyclo[11.11.0.03,23.011,15]tetracosa-1(13),3(23),11(15)-triene (CID 10624148) is 2,4,10,12,14,16,22,24-octathiatetracyclo[11.11.0.03,23.011,15]tetracosa-1(13),3(23),11(15)-triene.
What is the SMILES notation for 2,4,10,12,14,16,22,24-octathiatetracyclo[11.11.0.03,23.011,15]tetracosa-1(13),3(23),11(15)-triene?
The canonical SMILES for 2,4,10,12,14,16,22,24-octathiatetracyclo[11.11.0.03,23.011,15]tetracosa-1(13),3(23),11(15)-triene is C1CCSC2=C3SCCCCCSC4=C(SCC1)SC(=C(S2)S3)S4.
What is the InChIKey of 2,4,10,12,14,16,22,24-octathiatetracyclo[11.11.0.03,23.011,15]tetracosa-1(13),3(23),11(15)-triene?
The InChIKey is DHKHRHSGDIMJHG-FOCLMDBBSA-N. The full InChI is InChI=1S/C16H20S8/c1-3-7-17-11-13-19-9-5-2-6-10-20-14-12(18-8-4-1)22-16(24-14)15(21-11)23-13/h1-10H2/b16-15+.
What are the key properties of 2,4,10,12,14,16,22,24-octathiatetracyclo[11.11.0.03,23.011,15]tetracosa-1(13),3(23),11(15)-triene?
2,4,10,12,14,16,22,24-octathiatetracyclo[11.11.0.03,23.011,15]tetracosa-1(13),3(23),11(15)-triene has a molecular weight of 468.87 g/mol, XLogP of 8.63, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,10,12,14,16,22,24-octathiatetracyclo[11.11.0.03,23.011,15]tetracosa-1(13),3(23),11(15)-triene is sourced from PubChem (CID 10624148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).