2,5-dibromo-3,4-didecylthiophene

C24H42Br2S — CID 59856343

IUPAC2,5-dibromo-3,4-didecylthiophene
SMILESCCCCCCCCCCc1c(Br)sc(Br)c1CCCCCCCCCC
InChIInChI=1S/C24H42Br2S/c1-3-5-7-9-11-13-15-17-19-21-22(24(26)27-23(21)25)20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
InChIKeyBGSNQRHBDNEQHK-UHFFFAOYSA-N
MW522.48 g/mol
LogP10.64
Rot. Bonds18

About 2,5-dibromo-3,4-didecylthiophene

2,5-dibromo-3,4-didecylthiophene (PubChem CID 59856343) has the molecular formula C24H42Br2S and a molecular weight of 522.48 g/mol. Its IUPAC name is 2,5-dibromo-3,4-didecylthiophene.

Molecular Properties

Compound Name2,5-dibromo-3,4-didecylthiophene
PubChem CID59856343
Molecular FormulaC24H42Br2S
Molecular Weight522.48 g/mol
Exact Mass520.14
IUPAC Name2,5-dibromo-3,4-didecylthiophene
SMILESCCCCCCCCCCc1c(Br)sc(Br)c1CCCCCCCCCC
InChIInChI=1S/C24H42Br2S/c1-3-5-7-9-11-13-15-17-19-21-22(24(26)27-23(21)25)20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
InChIKeyBGSNQRHBDNEQHK-UHFFFAOYSA-N
XLogP10.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.48
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,6-dibromo-3,7-dioctylthieno[2,3-f][1]benzothiole-4,8-dione
CID 101202538
5-bromo-6-hexylthieno[3,2-b]thiophene
CID 122397779
5,7-dibromo-2,3-didecylthieno[3,4-b]pyrazine
CID 21199980
3,6-dihexyl-2,5-dimethylthieno[3,2-b]thiophene
CID 59265645
2,6-dibromo-4,8-didecylthieno[2,3-f][1]benzothiole
CID 68810648
2-bromo-5-hexyl-4-methylthiophen-3-amine
CID 114749215
2-bromo-3,4-didecyl-5-(2-decyl-2,3-dihydrothiophen-5-yl)thiophene
CID 151029311
1,3-dibromo-5,7-dioctylthieno[3,4-f][2]benzothiole-4,8-dione
CID 132965993
3,10-didodecyl-4,11-dimethyl-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene
CID 130376549
2,3,5-tribromo-4-(6-bromohexyl)thiophene
CID 71403505
3-bromo-4-decyl-2,5-bis[(E)-prop-1-enyl]thiophene
CID 177415002
4,6-dibromo-2-dodecylthieno[2,3-c]thiophene
CID 67499277

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-3,4-didecylthiophene?
The IUPAC name of 2,5-dibromo-3,4-didecylthiophene (CID 59856343) is 2,5-dibromo-3,4-didecylthiophene.
What is the SMILES notation for 2,5-dibromo-3,4-didecylthiophene?
The canonical SMILES for 2,5-dibromo-3,4-didecylthiophene is CCCCCCCCCCc1c(Br)sc(Br)c1CCCCCCCCCC.
What is the InChIKey of 2,5-dibromo-3,4-didecylthiophene?
The InChIKey is BGSNQRHBDNEQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42Br2S/c1-3-5-7-9-11-13-15-17-19-21-22(24(26)27-23(21)25)20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3.
What are the key properties of 2,5-dibromo-3,4-didecylthiophene?
2,5-dibromo-3,4-didecylthiophene has a molecular weight of 522.48 g/mol, XLogP of 10.64, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-3,4-didecylthiophene is sourced from PubChem (CID 59856343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).