5,17-dioxa-2,8,10,12,14,20,22,24-octathiatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene-11,23-dithione

C14H16O2S10 — CID 10347128

IUPAC5,17-dioxa-2,8,10,12,14,20,22,24-octathiatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene-11,23-dithione
SMILESS=c1sc2c(s1)SCCOCCSc1sc(=S)sc1SCCOCCS2
InChIInChI=1S/C14H16O2S10/c17-13-23-9-10(24-13)21-7-3-16-4-8-22-12-11(25-14(18)26-12)20-6-2-15-1-5-19-9/h1-8H2
InChIKeyRLDCDOWWQHRHDM-UHFFFAOYSA-N
MW536.95 g/mol
LogP7.51
Rot. Bonds

About 5,17-dioxa-2,8,10,12,14,20,22,24-octathiatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene-11,23-dithione

5,17-dioxa-2,8,10,12,14,20,22,24-octathiatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene-11,23-dithione (PubChem CID 10347128) has the molecular formula C14H16O2S10 and a molecular weight of 536.95 g/mol. Its IUPAC name is 5,17-dioxa-2,8,10,12,14,20,22,24-octathiatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene-11,23-dithione.

Molecular Properties

Compound Name5,17-dioxa-2,8,10,12,14,20,22,24-octathiatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene-11,23-dithione
PubChem CID10347128
Molecular FormulaC14H16O2S10
Molecular Weight536.95 g/mol
Exact Mass535.84
IUPAC Name5,17-dioxa-2,8,10,12,14,20,22,24-octathiatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene-11,23-dithione
SMILESS=c1sc2c(s1)SCCOCCSc1sc(=S)sc1SCCOCCS2
InChIInChI=1S/C14H16O2S10/c17-13-23-9-10(24-13)21-7-3-16-4-8-22-12-11(25-14(18)26-12)20-6-2-15-1-5-19-9/h1-8H2
InChIKeyRLDCDOWWQHRHDM-UHFFFAOYSA-N
XLogP7.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500536.95
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 5,17-dioxa-2,8,10,12,14,20,22,24-octathiatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene-11,23-dithione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,8,11,14-tetraoxa-2,17,19,21-tetrathiabicyclo[16.3.0]henicos-1(18)-ene-20-thione
CID 15044106
2-(1,3-dithiolan-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole-5-thione
CID 177415678
8,10-dimethyl-2,3,5,6-tetrahydrothieno[3,4-e][1,4,7]oxadithionine
CID 129198517
2-(5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole-5-thione
CID 59793312
(14Z)-1,4,7,10-tetraoxa-13,16-dithiacyclooctadec-14-ene-14,15-dicarbonitrile
CID 11078461
dimethyl 6,9-dioxa-3,12,15,16-tetrathiabicyclo[12.1.1]hexadeca-1,13-diene-2,13-dicarbodithioate
CID 10874422
1,4-oxathiane
CID 157277006
1,4,7,10-tetraoxa-13-thiacyclopentadecane
CID 12661564
1-oxa-4,7,10,13-tetrathiacyclopentadecane
CID 12872708
1,4,7,13,16,19-hexaoxa-10,22-dithiacyclotetracosane
CID 520450
Borane 1,4-thioxane
CID 11137144
13-oxa-2,5,10,16-tetrathia-7,8,18,19,20,21-hexazatricyclo[15.2.1.16,9]henicosa-1(19),6,8,17-tetraene-20,21-diamine
CID 10596703

Frequently Asked Questions

What is the IUPAC name of 5,17-dioxa-2,8,10,12,14,20,22,24-octathiatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene-11,23-dithione?
The IUPAC name of 5,17-dioxa-2,8,10,12,14,20,22,24-octathiatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene-11,23-dithione (CID 10347128) is 5,17-dioxa-2,8,10,12,14,20,22,24-octathiatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene-11,23-dithione.
What is the SMILES notation for 5,17-dioxa-2,8,10,12,14,20,22,24-octathiatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene-11,23-dithione?
The canonical SMILES for 5,17-dioxa-2,8,10,12,14,20,22,24-octathiatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene-11,23-dithione is S=c1sc2c(s1)SCCOCCSc1sc(=S)sc1SCCOCCS2.
What is the InChIKey of 5,17-dioxa-2,8,10,12,14,20,22,24-octathiatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene-11,23-dithione?
The InChIKey is RLDCDOWWQHRHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2S10/c17-13-23-9-10(24-13)21-7-3-16-4-8-22-12-11(25-14(18)26-12)20-6-2-15-1-5-19-9/h1-8H2.
What are the key properties of 5,17-dioxa-2,8,10,12,14,20,22,24-octathiatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene-11,23-dithione?
5,17-dioxa-2,8,10,12,14,20,22,24-octathiatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene-11,23-dithione has a molecular weight of 536.95 g/mol, XLogP of 7.51, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5,17-dioxa-2,8,10,12,14,20,22,24-octathiatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene-11,23-dithione is sourced from PubChem (CID 10347128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).