4,9,14,19-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(20),2,5,7,10,12,15,17-octaene

C16H8S4 — CID 2751875

IUPAC4,9,14,19-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(20),2,5,7,10,12,15,17-octaene
SMILESc1scc2c1-c1cscc1-c1cscc1-c1cscc1-2
InChIInChI=1S/C16H8S4/c1-9-10(2-17-1)12-4-19-6-14(12)16-8-20-7-15(16)13-5-18-3-11(9)13/h1-8H
InChIKeyCBPCBQMVOGRAQT-UHFFFAOYSA-N
MW328.51 g/mol
LogP6.91
Rot. Bonds

About 4,9,14,19-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(20),2,5,7,10,12,15,17-octaene

4,9,14,19-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(20),2,5,7,10,12,15,17-octaene (PubChem CID 2751875) has the molecular formula C16H8S4 and a molecular weight of 328.51 g/mol. Its IUPAC name is 4,9,14,19-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(20),2,5,7,10,12,15,17-octaene.

Molecular Properties

Compound Name4,9,14,19-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(20),2,5,7,10,12,15,17-octaene
PubChem CID2751875
Molecular FormulaC16H8S4
Molecular Weight328.51 g/mol
Exact Mass327.95
IUPAC Name4,9,14,19-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(20),2,5,7,10,12,15,17-octaene
SMILESc1scc2c1-c1cscc1-c1cscc1-c1cscc1-2
InChIInChI=1S/C16H8S4/c1-9-10(2-17-1)12-4-19-6-14(12)16-8-20-7-15(16)13-5-18-3-11(9)13/h1-8H
InChIKeyCBPCBQMVOGRAQT-UHFFFAOYSA-N
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.51
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,9,14,19-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(20),2,5,7,10,12,15,17-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,9,14,19-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(20),2,5,7,10,12,15,17-octaene?
The IUPAC name of 4,9,14,19-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(20),2,5,7,10,12,15,17-octaene (CID 2751875) is 4,9,14,19-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(20),2,5,7,10,12,15,17-octaene.
What is the SMILES notation for 4,9,14,19-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(20),2,5,7,10,12,15,17-octaene?
The canonical SMILES for 4,9,14,19-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(20),2,5,7,10,12,15,17-octaene is c1scc2c1-c1cscc1-c1cscc1-c1cscc1-2.
What is the InChIKey of 4,9,14,19-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(20),2,5,7,10,12,15,17-octaene?
The InChIKey is CBPCBQMVOGRAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8S4/c1-9-10(2-17-1)12-4-19-6-14(12)16-8-20-7-15(16)13-5-18-3-11(9)13/h1-8H.
What are the key properties of 4,9,14,19-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(20),2,5,7,10,12,15,17-octaene?
4,9,14,19-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(20),2,5,7,10,12,15,17-octaene has a molecular weight of 328.51 g/mol, XLogP of 6.91, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9,14,19-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(20),2,5,7,10,12,15,17-octaene is sourced from PubChem (CID 2751875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).