1,4,7,10,13,16,19,22-octathiacyclotetracosa-5,11,17,23-tetrayne

C16H16S8 — CID 5231859

IUPAC1,4,7,10,13,16,19,22-octathiacyclotetracosa-5,11,17,23-tetrayne
SMILESC1#CSCCSC#CSCCSC#CSCCSC#CSCCS1
InChIInChI=1S/C16H16S8/c1-2-18-5-6-20-9-10-22-13-14-24-16-15-23-12-11-21-8-7-19-4-3-17-1/h1-2,7-10,15-16H2
InChIKeyPZIVWECNWOVZQK-UHFFFAOYSA-N
MW464.84 g/mol
LogP5.54
Rot. Bonds

About 1,4,7,10,13,16,19,22-octathiacyclotetracosa-5,11,17,23-tetrayne

1,4,7,10,13,16,19,22-octathiacyclotetracosa-5,11,17,23-tetrayne (PubChem CID 5231859) has the molecular formula C16H16S8 and a molecular weight of 464.84 g/mol. Its IUPAC name is 1,4,7,10,13,16,19,22-octathiacyclotetracosa-5,11,17,23-tetrayne.

Molecular Properties

Compound Name1,4,7,10,13,16,19,22-octathiacyclotetracosa-5,11,17,23-tetrayne
PubChem CID5231859
Molecular FormulaC16H16S8
Molecular Weight464.84 g/mol
Exact Mass463.90
IUPAC Name1,4,7,10,13,16,19,22-octathiacyclotetracosa-5,11,17,23-tetrayne
SMILESC1#CSCCSC#CSCCSC#CSCCSC#CSCCS1
InChIInChI=1S/C16H16S8/c1-2-18-5-6-20-9-10-22-13-14-24-16-15-23-12-11-21-8-7-19-4-3-17-1/h1-2,7-10,15-16H2
InChIKeyPZIVWECNWOVZQK-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.84
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4,7,10,13,16,19,22-octathiacyclotetracosa-5,11,17,23-tetrayne?
The IUPAC name of 1,4,7,10,13,16,19,22-octathiacyclotetracosa-5,11,17,23-tetrayne (CID 5231859) is 1,4,7,10,13,16,19,22-octathiacyclotetracosa-5,11,17,23-tetrayne.
What is the SMILES notation for 1,4,7,10,13,16,19,22-octathiacyclotetracosa-5,11,17,23-tetrayne?
The canonical SMILES for 1,4,7,10,13,16,19,22-octathiacyclotetracosa-5,11,17,23-tetrayne is C1#CSCCSC#CSCCSC#CSCCSC#CSCCS1.
What is the InChIKey of 1,4,7,10,13,16,19,22-octathiacyclotetracosa-5,11,17,23-tetrayne?
The InChIKey is PZIVWECNWOVZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16S8/c1-2-18-5-6-20-9-10-22-13-14-24-16-15-23-12-11-21-8-7-19-4-3-17-1/h1-2,7-10,15-16H2.
What are the key properties of 1,4,7,10,13,16,19,22-octathiacyclotetracosa-5,11,17,23-tetrayne?
1,4,7,10,13,16,19,22-octathiacyclotetracosa-5,11,17,23-tetrayne has a molecular weight of 464.84 g/mol, XLogP of 5.54, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10,13,16,19,22-octathiacyclotetracosa-5,11,17,23-tetrayne is sourced from PubChem (CID 5231859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).