2-bromo-3-decylthiophene

C14H23BrS — CID 46911875

IUPAC2-bromo-3-decylthiophene
SMILESCCCCCCCCCCc1ccsc1Br
InChIInChI=1S/C14H23BrS/c1-2-3-4-5-6-7-8-9-10-13-11-12-16-14(13)15/h11-12H,2-10H2,1H3
InChIKeyYCWPDFSNGOICAB-UHFFFAOYSA-N
MW303.31 g/mol
LogP6.19
Rot. Bonds9

About 2-bromo-3-decylthiophene

2-bromo-3-decylthiophene (PubChem CID 46911875) has the molecular formula C14H23BrS and a molecular weight of 303.31 g/mol. Its IUPAC name is 2-bromo-3-decylthiophene.

Molecular Properties

Compound Name2-bromo-3-decylthiophene
PubChem CID46911875
Molecular FormulaC14H23BrS
Molecular Weight303.31 g/mol
Exact Mass302.07
IUPAC Name2-bromo-3-decylthiophene
SMILESCCCCCCCCCCc1ccsc1Br
InChIInChI=1S/C14H23BrS/c1-2-3-4-5-6-7-8-9-10-13-11-12-16-14(13)15/h11-12H,2-10H2,1H3
InChIKeyYCWPDFSNGOICAB-UHFFFAOYSA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.31
LogP ≤ 56.19
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

CID 566339
CID 566339
CID 2769638
CID 2769638
CID 10426816
CID 10426816
CID 10754854
CID 10754854
CID 10960141
CID 10960141
CID 15354891
CID 15354891
CID 3936632
CID 3936632
CID 566849
CID 566849
CID 566852
CID 566852
CID 4218617
CID 4218617
CID 11474236
CID 11474236
CID 15345429
CID 15345429

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-decylthiophene?
The IUPAC name of 2-bromo-3-decylthiophene (CID 46911875) is 2-bromo-3-decylthiophene.
What is the SMILES notation for 2-bromo-3-decylthiophene?
The canonical SMILES for 2-bromo-3-decylthiophene is CCCCCCCCCCc1ccsc1Br.
What is the InChIKey of 2-bromo-3-decylthiophene?
The InChIKey is YCWPDFSNGOICAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrS/c1-2-3-4-5-6-7-8-9-10-13-11-12-16-14(13)15/h11-12H,2-10H2,1H3.
What are the key properties of 2-bromo-3-decylthiophene?
2-bromo-3-decylthiophene has a molecular weight of 303.31 g/mol, XLogP of 6.19, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-decylthiophene is sourced from PubChem (CID 46911875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).