5,8,12,20,23,27-hexathianonacyclo[16.12.0.03,16.04,14.06,13.07,11.019,29.021,28.022,26]triaconta-1,3(16),4(14),6(13),7(11),9,17,19(29),21(28),22(26),24-undecaene

C24H10S6 — CID 137421927

IUPAC5,8,12,20,23,27-hexathianonacyclo[16.12.0.03,16.04,14.06,13.07,11.019,29.021,28.022,26]triaconta-1,3(16),4(14),6(13),7(11),9,17,19(29),21(28),22(26),24-undecaene
SMILESc1cc2sc3c4c(sc3c2s1)-c1cc2c(cc1C4)-c1sc3c(sc4ccsc43)c1C2
InChIInChI=1S/C24H10S6/c1-3-25-21-15(1)27-19-13-7-9-5-12-10(6-11(9)17(13)29-23(19)21)8-14-18(12)30-24-20(14)28-16-2-4-26-22(16)24/h1-6H,7-8H2
InChIKeyQESHVMZDXOGTFO-UHFFFAOYSA-N
MW490.75 g/mol
LogP9.81
Rot. Bonds

About 5,8,12,20,23,27-hexathianonacyclo[16.12.0.03,16.04,14.06,13.07,11.019,29.021,28.022,26]triaconta-1,3(16),4(14),6(13),7(11),9,17,19(29),21(28),22(26),24-undecaene

5,8,12,20,23,27-hexathianonacyclo[16.12.0.03,16.04,14.06,13.07,11.019,29.021,28.022,26]triaconta-1,3(16),4(14),6(13),7(11),9,17,19(29),21(28),22(26),24-undecaene (PubChem CID 137421927) has the molecular formula C24H10S6 and a molecular weight of 490.75 g/mol. Its IUPAC name is 5,8,12,20,23,27-hexathianonacyclo[16.12.0.03,16.04,14.06,13.07,11.019,29.021,28.022,26]triaconta-1,3(16),4(14),6(13),7(11),9,17,19(29),21(28),22(26),24-undecaene.

Molecular Properties

Compound Name5,8,12,20,23,27-hexathianonacyclo[16.12.0.03,16.04,14.06,13.07,11.019,29.021,28.022,26]triaconta-1,3(16),4(14),6(13),7(11),9,17,19(29),21(28),22(26),24-undecaene
PubChem CID137421927
Molecular FormulaC24H10S6
Molecular Weight490.75 g/mol
Exact Mass489.91
IUPAC Name5,8,12,20,23,27-hexathianonacyclo[16.12.0.03,16.04,14.06,13.07,11.019,29.021,28.022,26]triaconta-1,3(16),4(14),6(13),7(11),9,17,19(29),21(28),22(26),24-undecaene
SMILESc1cc2sc3c4c(sc3c2s1)-c1cc2c(cc1C4)-c1sc3c(sc4ccsc43)c1C2
InChIInChI=1S/C24H10S6/c1-3-25-21-15(1)27-19-13-7-9-5-12-10(6-11(9)17(13)29-23(19)21)8-14-18(12)30-24-20(14)28-16-2-4-26-22(16)24/h1-6H,7-8H2
InChIKeyQESHVMZDXOGTFO-UHFFFAOYSA-N
XLogP9.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.75
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5,8,12,20,23,27-hexathianonacyclo[16.12.0.03,16.04,14.06,13.07,11.019,29.021,28.022,26]triaconta-1,3(16),4(14),6(13),7(11),9,17,19(29),21(28),22(26),24-undecaene 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

11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene
CID 137421775
4-tritio-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 131860132
2,14-dimethyl-5,9,17,21-tetrathiaheptacyclo[13.9.0.03,13.04,11.06,10.016,23.018,22]tetracosa-1,3(13),4(11),6(10),7,14,16(23),18(22),19-nonaene
CID 126491861
4,8-dithiapentacyclo[10.7.0.02,9.03,7.014,19]nonadeca-1(12),2(9),3(7),5,10,14,16,18-octaen-11-ol
CID 122516735
3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4-thiol
CID 175953151
7,10,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaene
CID 101273245
5-(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-2-[5-(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-1,3-thiazol-2-yl]-1,3-thiazole
CID 170275089
10,11-dimethyl-4,8,13,17-tetrathiapentacyclo[10.6.0.02,9.03,7.014,18]octadeca-1(12),2(9),3(7),5,10,14(18),15-heptaene
CID 58463273
2,6-bis(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole
CID 170275150
4-thieno[3,2-b]thiophen-5-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 126710615
6-ethenyl-5-methylsulfanyl-3,10,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaene
CID 123936237
5,6-difluorothieno[3,2-b]thiophene
CID 118537059

Frequently Asked Questions

What is the IUPAC name of 5,8,12,20,23,27-hexathianonacyclo[16.12.0.03,16.04,14.06,13.07,11.019,29.021,28.022,26]triaconta-1,3(16),4(14),6(13),7(11),9,17,19(29),21(28),22(26),24-undecaene?
The IUPAC name of 5,8,12,20,23,27-hexathianonacyclo[16.12.0.03,16.04,14.06,13.07,11.019,29.021,28.022,26]triaconta-1,3(16),4(14),6(13),7(11),9,17,19(29),21(28),22(26),24-undecaene (CID 137421927) is 5,8,12,20,23,27-hexathianonacyclo[16.12.0.03,16.04,14.06,13.07,11.019,29.021,28.022,26]triaconta-1,3(16),4(14),6(13),7(11),9,17,19(29),21(28),22(26),24-undecaene.
What is the SMILES notation for 5,8,12,20,23,27-hexathianonacyclo[16.12.0.03,16.04,14.06,13.07,11.019,29.021,28.022,26]triaconta-1,3(16),4(14),6(13),7(11),9,17,19(29),21(28),22(26),24-undecaene?
The canonical SMILES for 5,8,12,20,23,27-hexathianonacyclo[16.12.0.03,16.04,14.06,13.07,11.019,29.021,28.022,26]triaconta-1,3(16),4(14),6(13),7(11),9,17,19(29),21(28),22(26),24-undecaene is c1cc2sc3c4c(sc3c2s1)-c1cc2c(cc1C4)-c1sc3c(sc4ccsc43)c1C2.
What is the InChIKey of 5,8,12,20,23,27-hexathianonacyclo[16.12.0.03,16.04,14.06,13.07,11.019,29.021,28.022,26]triaconta-1,3(16),4(14),6(13),7(11),9,17,19(29),21(28),22(26),24-undecaene?
The InChIKey is QESHVMZDXOGTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H10S6/c1-3-25-21-15(1)27-19-13-7-9-5-12-10(6-11(9)17(13)29-23(19)21)8-14-18(12)30-24-20(14)28-16-2-4-26-22(16)24/h1-6H,7-8H2.
What are the key properties of 5,8,12,20,23,27-hexathianonacyclo[16.12.0.03,16.04,14.06,13.07,11.019,29.021,28.022,26]triaconta-1,3(16),4(14),6(13),7(11),9,17,19(29),21(28),22(26),24-undecaene?
5,8,12,20,23,27-hexathianonacyclo[16.12.0.03,16.04,14.06,13.07,11.019,29.021,28.022,26]triaconta-1,3(16),4(14),6(13),7(11),9,17,19(29),21(28),22(26),24-undecaene has a molecular weight of 490.75 g/mol, XLogP of 9.81, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8,12,20,23,27-hexathianonacyclo[16.12.0.03,16.04,14.06,13.07,11.019,29.021,28.022,26]triaconta-1,3(16),4(14),6(13),7(11),9,17,19(29),21(28),22(26),24-undecaene is sourced from PubChem (CID 137421927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).