5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene

C14H6S4 — CID 67079587

IUPAC5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene
SMILESc1cc2sc3cc4c(cc3c2s1)sc1ccsc14
InChIInChI=1S/C14H6S4/c1-3-15-13-7-5-12-8(6-11(7)17-9(1)13)14-10(18-12)2-4-16-14/h1-6H
InChIKeyJFYIISXNMRMQNF-UHFFFAOYSA-N
MW302.47 g/mol
LogP6.55
Rot. Bonds

About 5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene

5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene (PubChem CID 67079587) has the molecular formula C14H6S4 and a molecular weight of 302.47 g/mol. Its IUPAC name is 5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene.

Molecular Properties

Compound Name5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene
PubChem CID67079587
Molecular FormulaC14H6S4
Molecular Weight302.47 g/mol
Exact Mass301.94
IUPAC Name5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene
SMILESc1cc2sc3cc4c(cc3c2s1)sc1ccsc14
InChIInChI=1S/C14H6S4/c1-3-15-13-7-5-12-8(6-11(7)17-9(1)13)14-10(18-12)2-4-16-14/h1-6H
InChIKeyJFYIISXNMRMQNF-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.47
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene with MolForge

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Related Compounds

Thieno[3,2-g][1]benzothiole
CID 901465
Thieno[3,2-b][1]benzothiophene
CID 605457
Benzo[1,2-b:4,3-b']dithiophene
CID 605461
4,5-Bis(thiophene-2-yl)thieno[3,2-e]benzo[b]thiophene
CID 10665852
3,10,14,21-Tetrathiahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,8,11,13(17),15,18(22),19-nonaene
CID 10689358
Benzo(1,2-b:4,5-b')dithiophene
CID 11106168
4,8-Dimethylbenzo[1,2-b:4,5-b']dithiophene
CID 13681816
1,1'-[4,8-Bis[5-(dodecylthio)-2-thienyl]benzo[1,2-b:4,5-b']dithiophene-2,6-diyl]bis[1,1,1-trimethylstannane]
CID 139034053
[2,11-Bis(5-octylthiophen-2-yl)-15-(trimethylstannyl)-5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]trimethylstannane
CID 146013205
4,8-Bis(4-fluoro-5-methylthiophen-2-yl)benzo[1,2-b:4,5-b']dithiophene
CID 168433473
2-[(Z)-1-thieno[3,2-e][1]benzothiol-2-ylhex-1-en-2-yl]thieno[3,2-e][1]benzothiole
CID 11271150
14,15-Dipropyl-7,12,17,22-tetrathiaheptacyclo[14.10.0.02,13.03,11.04,8.018,26.021,25]hexacosa-1(16),2(13),3(11),4(8),5,9,14,18(26),19,21(25),23-undecaene
CID 11974263

Frequently Asked Questions

What is the IUPAC name of 5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene?
The IUPAC name of 5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene (CID 67079587) is 5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene.
What is the SMILES notation for 5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene?
The canonical SMILES for 5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene is c1cc2sc3cc4c(cc3c2s1)sc1ccsc14.
What is the InChIKey of 5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene?
The InChIKey is JFYIISXNMRMQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6S4/c1-3-15-13-7-5-12-8(6-11(7)17-9(1)13)14-10(18-12)2-4-16-14/h1-6H.
What are the key properties of 5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene?
5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene has a molecular weight of 302.47 g/mol, XLogP of 6.55, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene is sourced from PubChem (CID 67079587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).