2-bromo-3,4-didecyl-5-(2-decyl-2,3-dihydrothiophen-5-yl)thiophene

C38H67BrS2 — CID 151029311

IUPAC2-bromo-3,4-didecyl-5-(2-decyl-2,3-dihydrothiophen-5-yl)thiophene
SMILESCCCCCCCCCCc1c(Br)sc(C2=CCC(CCCCCCCCCC)S2)c1CCCCCCCCCC
InChIInChI=1S/C38H67BrS2/c1-4-7-10-13-16-19-22-25-28-33-31-32-36(40-33)37-34(29-26-23-20-17-14-11-8-5-2)35(38(39)41-37)30-27-24-21-18-15-12-9-6-3/h32-33H,4-31H2,1-3H3
InChIKeyLZSHAWBALZKNMR-UHFFFAOYSA-N
MW667.99 g/mol
LogP15.25
Rot. Bonds28

About 2-bromo-3,4-didecyl-5-(2-decyl-2,3-dihydrothiophen-5-yl)thiophene

2-bromo-3,4-didecyl-5-(2-decyl-2,3-dihydrothiophen-5-yl)thiophene (PubChem CID 151029311) has the molecular formula C38H67BrS2 and a molecular weight of 667.99 g/mol. Its IUPAC name is 2-bromo-3,4-didecyl-5-(2-decyl-2,3-dihydrothiophen-5-yl)thiophene.

Molecular Properties

Compound Name2-bromo-3,4-didecyl-5-(2-decyl-2,3-dihydrothiophen-5-yl)thiophene
PubChem CID151029311
Molecular FormulaC38H67BrS2
Molecular Weight667.99 g/mol
Exact Mass666.39
IUPAC Name2-bromo-3,4-didecyl-5-(2-decyl-2,3-dihydrothiophen-5-yl)thiophene
SMILESCCCCCCCCCCc1c(Br)sc(C2=CCC(CCCCCCCCCC)S2)c1CCCCCCCCCC
InChIInChI=1S/C38H67BrS2/c1-4-7-10-13-16-19-22-25-28-33-31-32-36(40-33)37-34(29-26-23-20-17-14-11-8-5-2)35(38(39)41-37)30-27-24-21-18-15-12-9-6-3/h32-33H,4-31H2,1-3H3
InChIKeyLZSHAWBALZKNMR-UHFFFAOYSA-N
XLogP15.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.99
LogP ≤ 515.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-(2-hexyl-2,3-dihydrothiophen-5-yl)thiophene
CID 90159674
2,5-dibromo-3,4-didecylthiophene
CID 59856343
2,6-dibromo-3,7-dioctylthieno[2,3-f][1]benzothiole-4,8-dione
CID 101202538
6,8-bis(5-bromo-3,4-dioctylthiophen-2-yl)-2,4-dimethyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine;2,5-dibromo-3,4-dioctylthiophene;2,4-dimethyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine;methane
CID 163461880
5-bromo-6-hexylthieno[3,2-b]thiophene
CID 122397779
2,5-bis(4,5-dimethylthiophen-2-yl)-3,4-dihexylthiophene
CID 58730139
3,6-dihexyl-2,5-dimethylthieno[3,2-b]thiophene
CID 59265645
5-bromo-3-hexyl-2-methylthiophene
CID 58352067
1-bromo-4-hexyl(113C)cyclopentene
CID 10537515
4-bromo-3-hexyl-2-(3-hexylthiophen-2-yl)thiophene
CID 150204188
2,6-dibromo-4,8-didecylthieno[2,3-f][1]benzothiole
CID 68810648
2-bromo-5-hexyl-4-methylthiophen-3-amine
CID 114749215

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,4-didecyl-5-(2-decyl-2,3-dihydrothiophen-5-yl)thiophene?
The IUPAC name of 2-bromo-3,4-didecyl-5-(2-decyl-2,3-dihydrothiophen-5-yl)thiophene (CID 151029311) is 2-bromo-3,4-didecyl-5-(2-decyl-2,3-dihydrothiophen-5-yl)thiophene.
What is the SMILES notation for 2-bromo-3,4-didecyl-5-(2-decyl-2,3-dihydrothiophen-5-yl)thiophene?
The canonical SMILES for 2-bromo-3,4-didecyl-5-(2-decyl-2,3-dihydrothiophen-5-yl)thiophene is CCCCCCCCCCc1c(Br)sc(C2=CCC(CCCCCCCCCC)S2)c1CCCCCCCCCC.
What is the InChIKey of 2-bromo-3,4-didecyl-5-(2-decyl-2,3-dihydrothiophen-5-yl)thiophene?
The InChIKey is LZSHAWBALZKNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H67BrS2/c1-4-7-10-13-16-19-22-25-28-33-31-32-36(40-33)37-34(29-26-23-20-17-14-11-8-5-2)35(38(39)41-37)30-27-24-21-18-15-12-9-6-3/h32-33H,4-31H2,1-3H3.
What are the key properties of 2-bromo-3,4-didecyl-5-(2-decyl-2,3-dihydrothiophen-5-yl)thiophene?
2-bromo-3,4-didecyl-5-(2-decyl-2,3-dihydrothiophen-5-yl)thiophene has a molecular weight of 667.99 g/mol, XLogP of 15.25, 28 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,4-didecyl-5-(2-decyl-2,3-dihydrothiophen-5-yl)thiophene is sourced from PubChem (CID 151029311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).