5-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-2,4,6,8-tetrathiatricyclo[7.5.0.03,7]tetradec-3(7)-ene

C15H16S8 — CID 101396029

IUPAC5-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-2,4,6,8-tetrathiatricyclo[7.5.0.03,7]tetradec-3(7)-ene
SMILESC1CCC2SC3=C(SC(=C4SC5=C(SCCS5)S4)S3)SC2CC1
InChIInChI=1S/C15H16S8/c1-2-4-8-9(5-3-1)19-13-12(18-8)22-15(23-13)14-20-10-11(21-14)17-7-6-16-10/h8-9H,1-7H2
InChIKeyILOGLDDSVSPJEC-UHFFFAOYSA-N
MW452.83 g/mol
LogP7.99
Rot. Bonds

About 5-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-2,4,6,8-tetrathiatricyclo[7.5.0.03,7]tetradec-3(7)-ene

5-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-2,4,6,8-tetrathiatricyclo[7.5.0.03,7]tetradec-3(7)-ene (PubChem CID 101396029) has the molecular formula C15H16S8 and a molecular weight of 452.83 g/mol. Its IUPAC name is 5-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-2,4,6,8-tetrathiatricyclo[7.5.0.03,7]tetradec-3(7)-ene.

Molecular Properties

Compound Name5-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-2,4,6,8-tetrathiatricyclo[7.5.0.03,7]tetradec-3(7)-ene
PubChem CID101396029
Molecular FormulaC15H16S8
Molecular Weight452.83 g/mol
Exact Mass451.90
IUPAC Name5-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-2,4,6,8-tetrathiatricyclo[7.5.0.03,7]tetradec-3(7)-ene
SMILESC1CCC2SC3=C(SC(=C4SC5=C(SCCS5)S4)S3)SC2CC1
InChIInChI=1S/C15H16S8/c1-2-4-8-9(5-3-1)19-13-12(18-8)22-15(23-13)14-20-10-11(21-14)17-7-6-16-10/h8-9H,1-7H2
InChIKeyILOGLDDSVSPJEC-UHFFFAOYSA-N
XLogP7.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.83
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-2,4,6,8-tetrathiatricyclo[7.5.0.03,7]tetradec-3(7)-ene 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 5-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-2,4,6,8-tetrathiatricyclo[7.5.0.03,7]tetradec-3(7)-ene?
The IUPAC name of 5-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-2,4,6,8-tetrathiatricyclo[7.5.0.03,7]tetradec-3(7)-ene (CID 101396029) is 5-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-2,4,6,8-tetrathiatricyclo[7.5.0.03,7]tetradec-3(7)-ene.
What is the SMILES notation for 5-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-2,4,6,8-tetrathiatricyclo[7.5.0.03,7]tetradec-3(7)-ene?
The canonical SMILES for 5-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-2,4,6,8-tetrathiatricyclo[7.5.0.03,7]tetradec-3(7)-ene is C1CCC2SC3=C(SC(=C4SC5=C(SCCS5)S4)S3)SC2CC1.
What is the InChIKey of 5-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-2,4,6,8-tetrathiatricyclo[7.5.0.03,7]tetradec-3(7)-ene?
The InChIKey is ILOGLDDSVSPJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16S8/c1-2-4-8-9(5-3-1)19-13-12(18-8)22-15(23-13)14-20-10-11(21-14)17-7-6-16-10/h8-9H,1-7H2.
What are the key properties of 5-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-2,4,6,8-tetrathiatricyclo[7.5.0.03,7]tetradec-3(7)-ene?
5-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-2,4,6,8-tetrathiatricyclo[7.5.0.03,7]tetradec-3(7)-ene has a molecular weight of 452.83 g/mol, XLogP of 7.99, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-2,4,6,8-tetrathiatricyclo[7.5.0.03,7]tetradec-3(7)-ene is sourced from PubChem (CID 101396029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).