2-bromo-4-(2-decyltetradecyl)thiophene

C28H51BrS — CID 129019382

IUPAC2-bromo-4-(2-decyltetradecyl)thiophene
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)Cc1csc(Br)c1
InChIInChI=1S/C28H51BrS/c1-3-5-7-9-11-13-14-16-18-20-22-26(23-27-24-28(29)30-25-27)21-19-17-15-12-10-8-6-4-2/h24-26H,3-23H2,1-2H3
InChIKeyASXJNJYKZDRFCW-UHFFFAOYSA-N
MW499.69 g/mol
LogP11.51
Rot. Bonds22

About 2-bromo-4-(2-decyltetradecyl)thiophene

2-bromo-4-(2-decyltetradecyl)thiophene (PubChem CID 129019382) has the molecular formula C28H51BrS and a molecular weight of 499.69 g/mol. Its IUPAC name is 2-bromo-4-(2-decyltetradecyl)thiophene.

Molecular Properties

Compound Name2-bromo-4-(2-decyltetradecyl)thiophene
PubChem CID129019382
Molecular FormulaC28H51BrS
Molecular Weight499.69 g/mol
Exact Mass498.29
IUPAC Name2-bromo-4-(2-decyltetradecyl)thiophene
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)Cc1csc(Br)c1
InChIInChI=1S/C28H51BrS/c1-3-5-7-9-11-13-14-16-18-20-22-26(23-27-24-28(29)30-25-27)21-19-17-15-12-10-8-6-4-2/h24-26H,3-23H2,1-2H3
InChIKeyASXJNJYKZDRFCW-UHFFFAOYSA-N
XLogP11.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.69
LogP ≤ 511.51
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

1-(5-bromothiophen-3-yl)nonan-1-amine
CID 105128036
2,7-bis[4-(2-hexyldecyl)thiophen-2-yl]thieno[3,2-g][1]benzothiole-4,5-dione
CID 164761326
3-(2-hexyldecyl)thiophene
CID 67456553
(2S)-1-(5-bromothiophen-3-yl)propan-2-amine
CID 96875895
1-(5-bromothiophen-3-yl)-N-propyldecan-1-amine
CID 105124423
2-bromo-3-(2-hexyldecyl)thiophene
CID 67453822
2-bromo-3-(2-octyldodecyl)thiophene
CID 67031724
4,6-bis[4-(2-decyltetradecyl)thiophen-2-yl]thieno[3,4-d]thiadiazole
CID 130318359
2-bromo-4-(butoxymethyl)thiophene
CID 123709365
1-(5-bromothiophen-3-yl)-N-ethylhexan-1-amine
CID 105129603
5,8-difluoro-1,3-bis[4-(2-hexyldecyl)thiophen-2-yl]benzo[f][2]benzothiole-4,9-dione
CID 132511034
5-chloro-4,7-bis[4-(2-octyldodecyl)thiophen-2-yl]-2,1,3-benzothiadiazole
CID 140839382

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-decyltetradecyl)thiophene?
The IUPAC name of 2-bromo-4-(2-decyltetradecyl)thiophene (CID 129019382) is 2-bromo-4-(2-decyltetradecyl)thiophene.
What is the SMILES notation for 2-bromo-4-(2-decyltetradecyl)thiophene?
The canonical SMILES for 2-bromo-4-(2-decyltetradecyl)thiophene is CCCCCCCCCCCCC(CCCCCCCCCC)Cc1csc(Br)c1.
What is the InChIKey of 2-bromo-4-(2-decyltetradecyl)thiophene?
The InChIKey is ASXJNJYKZDRFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H51BrS/c1-3-5-7-9-11-13-14-16-18-20-22-26(23-27-24-28(29)30-25-27)21-19-17-15-12-10-8-6-4-2/h24-26H,3-23H2,1-2H3.
What are the key properties of 2-bromo-4-(2-decyltetradecyl)thiophene?
2-bromo-4-(2-decyltetradecyl)thiophene has a molecular weight of 499.69 g/mol, XLogP of 11.51, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2-decyltetradecyl)thiophene is sourced from PubChem (CID 129019382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).