2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene

C24H16S6 — CID 161253410

IUPAC2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene
SMILESc1csc(-c2ccc(-c3cccs3)s2)c1.c1csc(-c2ccsc2-c2cccs2)c1
InChIInChI=1S/2C12H8S3/c1-3-9(13-7-1)11-5-6-12(15-11)10-4-2-8-14-10;1-3-10(13-6-1)9-5-8-15-12(9)11-4-2-7-14-11/h2*1-8H
InChIKeyVBOOTTLBQDJXNW-UHFFFAOYSA-N
MW496.79 g/mol
LogP10.41
Rot. Bonds4

About 2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene

2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene (PubChem CID 161253410) has the molecular formula C24H16S6 and a molecular weight of 496.79 g/mol. Its IUPAC name is 2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene.

Molecular Properties

Compound Name2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene
PubChem CID161253410
Molecular FormulaC24H16S6
Molecular Weight496.79 g/mol
Exact Mass495.96
IUPAC Name2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene
SMILESc1csc(-c2ccc(-c3cccs3)s2)c1.c1csc(-c2ccsc2-c2cccs2)c1
InChIInChI=1S/2C12H8S3/c1-3-9(13-7-1)11-5-6-12(15-11)10-4-2-8-14-10;1-3-10(13-6-1)9-5-8-15-12(9)11-4-2-7-14-11/h2*1-8H
InChIKeyVBOOTTLBQDJXNW-UHFFFAOYSA-N
XLogP10.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.79
LogP ≤ 510.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

thiophene;2-thiophen-2-yl-3-(3-thiophen-2-ylthiophen-2-yl)thiophene
CID 161377996
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
4-[5-[3-[5-[4,5-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2,3-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 102469985
2-(5-thiophen-2-ylthiophen-2-yl)-3-[2-[5-[5-[5-[5-[3-[2-(5-thiophen-2-ylthiophen-2-yl)-1-benzothiophen-3-yl]-1-benzothiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-1-benzothiophen-3-yl]-1-benzothiophene
CID 177465253
3-(4-chlorophenyl)-2-thiophen-2-ylthiophene
CID 172853479
3-(4-phenylphenyl)-2-(2-thiophen-2-ylthiophen-3-yl)thiophene
CID 175170754
3-methyl-2-[5-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene
CID 59476051
3,4-dibromo-2-[2-(2-thiophen-2-ylthiophen-3-yl)thiophen-3-yl]thiophene
CID 68932468
2,3-dimethyl-5,8-bis(5-thiophen-2-ylthiophen-2-yl)quinoxaline
CID 101404191
tris(5-thiophen-2-ylthiophen-2-yl)phosphane
CID 101444105
2,6-bis(5-thiophen-2-ylthiophen-2-yl)pyrazine
CID 59488709
[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methanol
CID 15838027

Frequently Asked Questions

What is the IUPAC name of 2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene?
The IUPAC name of 2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene (CID 161253410) is 2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene.
What is the SMILES notation for 2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene?
The canonical SMILES for 2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene is c1csc(-c2ccc(-c3cccs3)s2)c1.c1csc(-c2ccsc2-c2cccs2)c1.
What is the InChIKey of 2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene?
The InChIKey is VBOOTTLBQDJXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8S3/c1-3-9(13-7-1)11-5-6-12(15-11)10-4-2-8-14-10;1-3-10(13-6-1)9-5-8-15-12(9)11-4-2-7-14-11/h2*1-8H.
What are the key properties of 2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene?
2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene has a molecular weight of 496.79 g/mol, XLogP of 10.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene is sourced from PubChem (CID 161253410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).