2,5-dibromo-3-hexylsulfinylthiophene

C10H14Br2OS2 — CID 102231265

IUPAC2,5-dibromo-3-hexylsulfinylthiophene
SMILESCCCCCCS(=O)c1cc(Br)sc1Br
InChIInChI=1S/C10H14Br2OS2/c1-2-3-4-5-6-15(13)8-7-9(11)14-10(8)12/h7H,2-6H2,1H3
InChIKeyCKCSRKXUVWNCKZ-UHFFFAOYSA-N
MW374.16 g/mol
LogP4.96
Rot. Bonds6

About 2,5-dibromo-3-hexylsulfinylthiophene

2,5-dibromo-3-hexylsulfinylthiophene (PubChem CID 102231265) has the molecular formula C10H14Br2OS2 and a molecular weight of 374.16 g/mol. Its IUPAC name is 2,5-dibromo-3-hexylsulfinylthiophene.

Molecular Properties

Compound Name2,5-dibromo-3-hexylsulfinylthiophene
PubChem CID102231265
Molecular FormulaC10H14Br2OS2
Molecular Weight374.16 g/mol
Exact Mass371.89
IUPAC Name2,5-dibromo-3-hexylsulfinylthiophene
SMILESCCCCCCS(=O)c1cc(Br)sc1Br
InChIInChI=1S/C10H14Br2OS2/c1-2-3-4-5-6-15(13)8-7-9(11)14-10(8)12/h7H,2-6H2,1H3
InChIKeyCKCSRKXUVWNCKZ-UHFFFAOYSA-N
XLogP4.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.16
LogP ≤ 54.96
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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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-3-hexylsulfinylthiophene?
The IUPAC name of 2,5-dibromo-3-hexylsulfinylthiophene (CID 102231265) is 2,5-dibromo-3-hexylsulfinylthiophene.
What is the SMILES notation for 2,5-dibromo-3-hexylsulfinylthiophene?
The canonical SMILES for 2,5-dibromo-3-hexylsulfinylthiophene is CCCCCCS(=O)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-3-hexylsulfinylthiophene?
The InChIKey is CKCSRKXUVWNCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2OS2/c1-2-3-4-5-6-15(13)8-7-9(11)14-10(8)12/h7H,2-6H2,1H3.
What are the key properties of 2,5-dibromo-3-hexylsulfinylthiophene?
2,5-dibromo-3-hexylsulfinylthiophene has a molecular weight of 374.16 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-3-hexylsulfinylthiophene is sourced from PubChem (CID 102231265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).