3,10,14,21-tetrathiahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,8,11,13(17),15,18(22),19-nonaene

C18H8S4 — CID 10689358

IUPAC3,10,14,21-tetrathiahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,8,11,13(17),15,18(22),19-nonaene
SMILESc1cc2c3ccsc3c3c4sccc4c4ccsc4c3c2s1
InChIInChI=1S/C18H8S4/c1-5-19-15-9(1)10-2-6-20-16(10)14-13(15)17-11(3-7-21-17)12-4-8-22-18(12)14/h1-8H
InChIKeyBQEZUHUTYUOGBU-UHFFFAOYSA-N
MW352.53 g/mol
LogP7.70
Rot. Bonds

About 3,10,14,21-tetrathiahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,8,11,13(17),15,18(22),19-nonaene

3,10,14,21-tetrathiahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,8,11,13(17),15,18(22),19-nonaene (PubChem CID 10689358) has the molecular formula C18H8S4 and a molecular weight of 352.53 g/mol. Its IUPAC name is 3,10,14,21-tetrathiahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,8,11,13(17),15,18(22),19-nonaene.

Molecular Properties

Compound Name3,10,14,21-tetrathiahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,8,11,13(17),15,18(22),19-nonaene
PubChem CID10689358
Molecular FormulaC18H8S4
Molecular Weight352.53 g/mol
Exact Mass351.95
IUPAC Name3,10,14,21-tetrathiahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,8,11,13(17),15,18(22),19-nonaene
SMILESc1cc2c3ccsc3c3c4sccc4c4ccsc4c3c2s1
InChIInChI=1S/C18H8S4/c1-5-19-15-9(1)10-2-6-20-16(10)14-13(15)17-11(3-7-21-17)12-4-8-22-18(12)14/h1-8H
InChIKeyBQEZUHUTYUOGBU-UHFFFAOYSA-N
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.53
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,10,14,21-tetrathiahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,8,11,13(17),15,18(22),19-nonaene 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 3,10,14,21-tetrathiahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,8,11,13(17),15,18(22),19-nonaene?
The IUPAC name of 3,10,14,21-tetrathiahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,8,11,13(17),15,18(22),19-nonaene (CID 10689358) is 3,10,14,21-tetrathiahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,8,11,13(17),15,18(22),19-nonaene.
What is the SMILES notation for 3,10,14,21-tetrathiahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,8,11,13(17),15,18(22),19-nonaene?
The canonical SMILES for 3,10,14,21-tetrathiahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,8,11,13(17),15,18(22),19-nonaene is c1cc2c3ccsc3c3c4sccc4c4ccsc4c3c2s1.
What is the InChIKey of 3,10,14,21-tetrathiahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,8,11,13(17),15,18(22),19-nonaene?
The InChIKey is BQEZUHUTYUOGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8S4/c1-5-19-15-9(1)10-2-6-20-16(10)14-13(15)17-11(3-7-21-17)12-4-8-22-18(12)14/h1-8H.
What are the key properties of 3,10,14,21-tetrathiahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,8,11,13(17),15,18(22),19-nonaene?
3,10,14,21-tetrathiahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,8,11,13(17),15,18(22),19-nonaene has a molecular weight of 352.53 g/mol, XLogP of 7.70, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10,14,21-tetrathiahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,8,11,13(17),15,18(22),19-nonaene is sourced from PubChem (CID 10689358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).