5-bromo-3-butyl-2-[(E)-2-(3-butylthiophen-2-yl)ethenyl]thiophene

C18H23BrS2 — CID 59141203

IUPAC5-bromo-3-butyl-2-[(E)-2-(3-butylthiophen-2-yl)ethenyl]thiophene
SMILESCCCCc1ccsc1/C=C/c1sc(Br)cc1CCCC
InChIInChI=1S/C18H23BrS2/c1-3-5-7-14-11-12-20-16(14)9-10-17-15(8-6-4-2)13-18(19)21-17/h9-13H,3-8H2,1-2H3/b10-9+
InChIKeyVKBLAUCBOKFIOX-MDZDMXLPSA-N
MW383.42 g/mol
LogP7.43
Rot. Bonds8

About 5-bromo-3-butyl-2-[(E)-2-(3-butylthiophen-2-yl)ethenyl]thiophene

5-bromo-3-butyl-2-[(E)-2-(3-butylthiophen-2-yl)ethenyl]thiophene (PubChem CID 59141203) has the molecular formula C18H23BrS2 and a molecular weight of 383.42 g/mol. Its IUPAC name is 5-bromo-3-butyl-2-[(E)-2-(3-butylthiophen-2-yl)ethenyl]thiophene.

Molecular Properties

Compound Name5-bromo-3-butyl-2-[(E)-2-(3-butylthiophen-2-yl)ethenyl]thiophene
PubChem CID59141203
Molecular FormulaC18H23BrS2
Molecular Weight383.42 g/mol
Exact Mass382.04
IUPAC Name5-bromo-3-butyl-2-[(E)-2-(3-butylthiophen-2-yl)ethenyl]thiophene
SMILESCCCCc1ccsc1/C=C/c1sc(Br)cc1CCCC
InChIInChI=1S/C18H23BrS2/c1-3-5-7-14-11-12-20-16(14)9-10-17-15(8-6-4-2)13-18(19)21-17/h9-13H,3-8H2,1-2H3/b10-9+
InChIKeyVKBLAUCBOKFIOX-MDZDMXLPSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.42
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-undecyl-2-[(E)-2-(3-undecylthiophen-2-yl)ethenyl]thiophene
CID 141420064
2-bromo-3-hexyl-5-[(E)-2-(3-hexylthiophen-2-yl)ethenyl]thiophene
CID 122364865
5-bromo-2-[(E)-2-[4-[4-[(E)-2-(5-bromo-3-hexylthiophen-2-yl)ethenyl]phenyl]phenyl]ethenyl]-3-hexylthiophene
CID 59288522
4-(3-butylthiophen-2-yl)but-3-enal
CID 170481673
3-dodecyl-2-[(E)-2-(3-dodecylthiophen-2-yl)ethenyl]thiophene;3-dodecylthiophene-2-carbaldehyde
CID 161286013
2-ethenyl-3-tetradecylthiophene
CID 150440528
4,7-bis[4-hexyl-5-[4-hexyl-5-[(E)-2-[4-[(E)-2-(3-hexylthiophen-2-yl)ethenyl]phenyl]ethenyl]thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole
CID 59141197
3-octyl-2-[(E)-2-[3-octyl-5-[(E)-2-[4-octyl-5-[(E)-2-[3-octyl-5-[(E)-2-thiophen-2-ylethenyl]thiophen-2-yl]ethenyl]thiophen-2-yl]ethenyl]thiophen-2-yl]ethenyl]-5-[(E)-2-thiophen-2-ylethenyl]thiophene
CID 102063392
5-bromo-2-(5-bromo-3-octylthiophen-2-yl)-3-octylthiophene
CID 86180196
2-bromo-3-icosylthiophene
CID 141267982
2-bromo-3-dodecylthiophene
CID 10426816
3-hexyl-2-[(1E,3E)-3-methyl-5-propan-2-ylideneundeca-1,3-dienyl]thiophene
CID 143882637

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-butyl-2-[(E)-2-(3-butylthiophen-2-yl)ethenyl]thiophene?
The IUPAC name of 5-bromo-3-butyl-2-[(E)-2-(3-butylthiophen-2-yl)ethenyl]thiophene (CID 59141203) is 5-bromo-3-butyl-2-[(E)-2-(3-butylthiophen-2-yl)ethenyl]thiophene.
What is the SMILES notation for 5-bromo-3-butyl-2-[(E)-2-(3-butylthiophen-2-yl)ethenyl]thiophene?
The canonical SMILES for 5-bromo-3-butyl-2-[(E)-2-(3-butylthiophen-2-yl)ethenyl]thiophene is CCCCc1ccsc1/C=C/c1sc(Br)cc1CCCC.
What is the InChIKey of 5-bromo-3-butyl-2-[(E)-2-(3-butylthiophen-2-yl)ethenyl]thiophene?
The InChIKey is VKBLAUCBOKFIOX-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H23BrS2/c1-3-5-7-14-11-12-20-16(14)9-10-17-15(8-6-4-2)13-18(19)21-17/h9-13H,3-8H2,1-2H3/b10-9+.
What are the key properties of 5-bromo-3-butyl-2-[(E)-2-(3-butylthiophen-2-yl)ethenyl]thiophene?
5-bromo-3-butyl-2-[(E)-2-(3-butylthiophen-2-yl)ethenyl]thiophene has a molecular weight of 383.42 g/mol, XLogP of 7.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-butyl-2-[(E)-2-(3-butylthiophen-2-yl)ethenyl]thiophene is sourced from PubChem (CID 59141203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).