7,14-bis(5-methylthiophen-2-yl)-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene

C22H14S4 — CID 129025887

IUPAC7,14-bis(5-methylthiophen-2-yl)-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene
SMILESCc1ccc(C2=C3C(=C(c4ccc(C)s4)c4sccc43)c3ccsc32)s1
InChIInChI=1S/C22H14S4/c1-11-3-5-15(25-11)19-17-13-7-10-24-22(13)20(16-6-4-12(2)26-16)18(17)14-8-9-23-21(14)19/h3-10H,1-2H3
InChIKeyMTXDVYDKTGKLNF-UHFFFAOYSA-N
MW406.62 g/mol
LogP7.79
Rot. Bonds2

About 7,14-bis(5-methylthiophen-2-yl)-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene

7,14-bis(5-methylthiophen-2-yl)-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene (PubChem CID 129025887) has the molecular formula C22H14S4 and a molecular weight of 406.62 g/mol. Its IUPAC name is 7,14-bis(5-methylthiophen-2-yl)-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene.

Molecular Properties

Compound Name7,14-bis(5-methylthiophen-2-yl)-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene
PubChem CID129025887
Molecular FormulaC22H14S4
Molecular Weight406.62 g/mol
Exact Mass406.00
IUPAC Name7,14-bis(5-methylthiophen-2-yl)-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene
SMILESCc1ccc(C2=C3C(=C(c4ccc(C)s4)c4sccc43)c3ccsc32)s1
InChIInChI=1S/C22H14S4/c1-11-3-5-15(25-11)19-17-13-7-10-24-22(13)20(16-6-4-12(2)26-16)18(17)14-8-9-23-21(14)19/h3-10H,1-2H3
InChIKeyMTXDVYDKTGKLNF-UHFFFAOYSA-N
XLogP7.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.62
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7,14-bis(5-methylthiophen-2-yl)-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene with MolForge

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Related Compounds

ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene
CID 91463281
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CID 126765639
2-methyl-5-thiophen-2-ylthiophene;propane
CID 142257628
2-ethyl-4-(5-methylthiophen-2-yl)-1,3-thiazole
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CID 22960139
8-(4-oxothieno[3,2-f][1]benzothiol-8-ylidene)thieno[3,2-f][1]benzothiol-4-one
CID 101406491
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CID 118422573
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CID 102203513
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CID 58982512
2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene
CID 71014682
4-methyl-7-methylidene-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene
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Frequently Asked Questions

What is the IUPAC name of 7,14-bis(5-methylthiophen-2-yl)-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene?
The IUPAC name of 7,14-bis(5-methylthiophen-2-yl)-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene (CID 129025887) is 7,14-bis(5-methylthiophen-2-yl)-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene.
What is the SMILES notation for 7,14-bis(5-methylthiophen-2-yl)-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene?
The canonical SMILES for 7,14-bis(5-methylthiophen-2-yl)-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene is Cc1ccc(C2=C3C(=C(c4ccc(C)s4)c4sccc43)c3ccsc32)s1.
What is the InChIKey of 7,14-bis(5-methylthiophen-2-yl)-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene?
The InChIKey is MTXDVYDKTGKLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14S4/c1-11-3-5-15(25-11)19-17-13-7-10-24-22(13)20(16-6-4-12(2)26-16)18(17)14-8-9-23-21(14)19/h3-10H,1-2H3.
What are the key properties of 7,14-bis(5-methylthiophen-2-yl)-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene?
7,14-bis(5-methylthiophen-2-yl)-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene has a molecular weight of 406.62 g/mol, XLogP of 7.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,14-bis(5-methylthiophen-2-yl)-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene is sourced from PubChem (CID 129025887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).