4,5-dithiophen-2-ylthieno[3,2-e][1]benzothiole

C18H10S4 — CID 10665852

IUPAC4,5-dithiophen-2-ylthieno[3,2-e][1]benzothiole
SMILESc1csc(-c2c(-c3cccs3)c3sccc3c3ccsc23)c1
InChIInChI=1S/C18H10S4/c1-3-13(19-7-1)15-16(14-4-2-8-20-14)18-12(6-10-22-18)11-5-9-21-17(11)15/h1-10H
InChIKeyYAFJPFTXICZAQU-UHFFFAOYSA-N
MW354.55 g/mol
LogP7.57
Rot. Bonds2

About 4,5-dithiophen-2-ylthieno[3,2-e][1]benzothiole

4,5-dithiophen-2-ylthieno[3,2-e][1]benzothiole (PubChem CID 10665852) has the molecular formula C18H10S4 and a molecular weight of 354.55 g/mol. Its IUPAC name is 4,5-dithiophen-2-ylthieno[3,2-e][1]benzothiole.

Molecular Properties

Compound Name4,5-dithiophen-2-ylthieno[3,2-e][1]benzothiole
PubChem CID10665852
Molecular FormulaC18H10S4
Molecular Weight354.55 g/mol
Exact Mass353.97
IUPAC Name4,5-dithiophen-2-ylthieno[3,2-e][1]benzothiole
SMILESc1csc(-c2c(-c3cccs3)c3sccc3c3ccsc23)c1
InChIInChI=1S/C18H10S4/c1-3-13(19-7-1)15-16(14-4-2-8-20-14)18-12(6-10-22-18)11-5-9-21-17(11)15/h1-10H
InChIKeyYAFJPFTXICZAQU-UHFFFAOYSA-N
XLogP7.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.55
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-Benzothiophen-3-ylmethyltrisulfanyl)methyl]-1-benzothiophene
CID 11654002
Benzo[1,2-b:3,4-b':6,5-b'']trithiophene
CID 395542
Anthra[2,3-b:6,7-b']dithiophene
CID 15306149
Naphtho[1,2-b:5,6-b']dithiophene
CID 58434773
2,6-Diphenylbenzo[1,2-b:4,5-b']dithiophene
CID 59356827
2,6-Bis(trimethytin)-4,8-bis(5-(2-ethylhexyl)-4-fluorothiophen-2-yl)benzo[1,2-b:4,5-b']dithiophene
CID 138112137
Isupsl-cho-4-344C
CID 25058322
Thieno[3,2-g][1]benzothiole
CID 901465
1,1'-[4,8-Bis[5-(2-hexyldecyl)-2-thienyl]benzo[1,2-b:4,5-b']dithiophene-2,6-diyl]bis[1,1,1-trimethylstannane]
CID 87426092
Dithienylbenzo[c]thiophene
CID 11033874
4,8-Bis[5-(2-ethylhexyl)thiophen-2-yl]-2,6-bis(trimethylstannyl)benzo[1,2-b:4,5-b']dithiophene
CID 90187248
4,8-Bis(5-(2-ethylhexyl)-4-fluorothiophen-2-yl)benzo[1,2-b:4,5-b']dithiophene
CID 139594104

Frequently Asked Questions

What is the IUPAC name of 4,5-dithiophen-2-ylthieno[3,2-e][1]benzothiole?
The IUPAC name of 4,5-dithiophen-2-ylthieno[3,2-e][1]benzothiole (CID 10665852) is 4,5-dithiophen-2-ylthieno[3,2-e][1]benzothiole.
What is the SMILES notation for 4,5-dithiophen-2-ylthieno[3,2-e][1]benzothiole?
The canonical SMILES for 4,5-dithiophen-2-ylthieno[3,2-e][1]benzothiole is c1csc(-c2c(-c3cccs3)c3sccc3c3ccsc23)c1.
What is the InChIKey of 4,5-dithiophen-2-ylthieno[3,2-e][1]benzothiole?
The InChIKey is YAFJPFTXICZAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10S4/c1-3-13(19-7-1)15-16(14-4-2-8-20-14)18-12(6-10-22-18)11-5-9-21-17(11)15/h1-10H.
What are the key properties of 4,5-dithiophen-2-ylthieno[3,2-e][1]benzothiole?
4,5-dithiophen-2-ylthieno[3,2-e][1]benzothiole has a molecular weight of 354.55 g/mol, XLogP of 7.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dithiophen-2-ylthieno[3,2-e][1]benzothiole is sourced from PubChem (CID 10665852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).