2-thiophen-2-yl-5-[5-(2,4,6-trimethylphenyl)sulfanylthiophen-2-yl]thiophene

C21H18S4 — CID 102388798

IUPAC2-thiophen-2-yl-5-[5-(2,4,6-trimethylphenyl)sulfanylthiophen-2-yl]thiophene
SMILESCc1cc(C)c(Sc2ccc(-c3ccc(-c4cccs4)s3)s2)c(C)c1
InChIInChI=1S/C21H18S4/c1-13-11-14(2)21(15(3)12-13)25-20-9-8-19(24-20)18-7-6-17(23-18)16-5-4-10-22-16/h4-12H,1-3H3
InChIKeyJRVVBFFJEWAEDU-UHFFFAOYSA-N
MW398.64 g/mol
LogP8.28
Rot. Bonds4

About 2-thiophen-2-yl-5-[5-(2,4,6-trimethylphenyl)sulfanylthiophen-2-yl]thiophene

2-thiophen-2-yl-5-[5-(2,4,6-trimethylphenyl)sulfanylthiophen-2-yl]thiophene (PubChem CID 102388798) has the molecular formula C21H18S4 and a molecular weight of 398.64 g/mol. Its IUPAC name is 2-thiophen-2-yl-5-[5-(2,4,6-trimethylphenyl)sulfanylthiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-thiophen-2-yl-5-[5-(2,4,6-trimethylphenyl)sulfanylthiophen-2-yl]thiophene
PubChem CID102388798
Molecular FormulaC21H18S4
Molecular Weight398.64 g/mol
Exact Mass398.03
IUPAC Name2-thiophen-2-yl-5-[5-(2,4,6-trimethylphenyl)sulfanylthiophen-2-yl]thiophene
SMILESCc1cc(C)c(Sc2ccc(-c3ccc(-c4cccs4)s3)s2)c(C)c1
InChIInChI=1S/C21H18S4/c1-13-11-14(2)21(15(3)12-13)25-20-9-8-19(24-20)18-7-6-17(23-18)16-5-4-10-22-16/h4-12H,1-3H3
InChIKeyJRVVBFFJEWAEDU-UHFFFAOYSA-N
XLogP8.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.64
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
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
2-propylsulfanyl-5-thiophen-2-ylthiophene
CID 100914409
2-thiophen-2-yl-5-[5-(1,3,4-trimethylphosphol-2-yl)thiophen-2-yl]thiophene
CID 102522283
2-methyl-5-thiophen-2-ylthiophene;propane
CID 142257628
2-(2,4-dimethylphenyl)thiophene
CID 12781163
2-thiophen-2-yl-5-[6-(5-thiophen-2-ylthiophen-2-yl)anthracen-2-yl]thiophene
CID 23596942
2-(2-ethyl-3-methylphenyl)-5-thiophen-2-ylthiophene
CID 141257893
2,3-dimethyl-5,8-bis(5-thiophen-2-ylthiophen-2-yl)quinoxaline
CID 101404191
2-(3,5-diethylphenyl)-5-thiophen-2-ylthiophene
CID 141257815
(2,4,6-trimethylphenyl) thiophene-2-carbodithioate
CID 816833
2-(4-prop-1-en-2-ylphenyl)-5-thiophen-2-ylthiophene
CID 139982091

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-5-[5-(2,4,6-trimethylphenyl)sulfanylthiophen-2-yl]thiophene?
The IUPAC name of 2-thiophen-2-yl-5-[5-(2,4,6-trimethylphenyl)sulfanylthiophen-2-yl]thiophene (CID 102388798) is 2-thiophen-2-yl-5-[5-(2,4,6-trimethylphenyl)sulfanylthiophen-2-yl]thiophene.
What is the SMILES notation for 2-thiophen-2-yl-5-[5-(2,4,6-trimethylphenyl)sulfanylthiophen-2-yl]thiophene?
The canonical SMILES for 2-thiophen-2-yl-5-[5-(2,4,6-trimethylphenyl)sulfanylthiophen-2-yl]thiophene is Cc1cc(C)c(Sc2ccc(-c3ccc(-c4cccs4)s3)s2)c(C)c1.
What is the InChIKey of 2-thiophen-2-yl-5-[5-(2,4,6-trimethylphenyl)sulfanylthiophen-2-yl]thiophene?
The InChIKey is JRVVBFFJEWAEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18S4/c1-13-11-14(2)21(15(3)12-13)25-20-9-8-19(24-20)18-7-6-17(23-18)16-5-4-10-22-16/h4-12H,1-3H3.
What are the key properties of 2-thiophen-2-yl-5-[5-(2,4,6-trimethylphenyl)sulfanylthiophen-2-yl]thiophene?
2-thiophen-2-yl-5-[5-(2,4,6-trimethylphenyl)sulfanylthiophen-2-yl]thiophene has a molecular weight of 398.64 g/mol, XLogP of 8.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-5-[5-(2,4,6-trimethylphenyl)sulfanylthiophen-2-yl]thiophene is sourced from PubChem (CID 102388798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).