1,2-dibromo-3-(2,3-dibromopropylsulfanyl)propane

C6H10Br4S — CID 87354604

IUPAC1,2-dibromo-3-(2,3-dibromopropylsulfanyl)propane
SMILESBrCC(Br)CSCC(Br)CBr
InChIInChI=1S/C6H10Br4S/c7-1-5(9)3-11-4-6(10)2-8/h5-6H,1-4H2
InChIKeyJQNMYGUHQKMHLC-UHFFFAOYSA-N
MW433.83 g/mol
LogP4.04
Rot. Bonds6

About 1,2-dibromo-3-(2,3-dibromopropylsulfanyl)propane

1,2-dibromo-3-(2,3-dibromopropylsulfanyl)propane (PubChem CID 87354604) has the molecular formula C6H10Br4S and a molecular weight of 433.83 g/mol. Its IUPAC name is 1,2-dibromo-3-(2,3-dibromopropylsulfanyl)propane.

Molecular Properties

Compound Name1,2-dibromo-3-(2,3-dibromopropylsulfanyl)propane
PubChem CID87354604
Molecular FormulaC6H10Br4S
Molecular Weight433.83 g/mol
Exact Mass429.72
IUPAC Name1,2-dibromo-3-(2,3-dibromopropylsulfanyl)propane
SMILESBrCC(Br)CSCC(Br)CBr
InChIInChI=1S/C6H10Br4S/c7-1-5(9)3-11-4-6(10)2-8/h5-6H,1-4H2
InChIKeyJQNMYGUHQKMHLC-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.83
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-3-(2,3-dibromopropylsulfanyl)propane?
The IUPAC name of 1,2-dibromo-3-(2,3-dibromopropylsulfanyl)propane (CID 87354604) is 1,2-dibromo-3-(2,3-dibromopropylsulfanyl)propane.
What is the SMILES notation for 1,2-dibromo-3-(2,3-dibromopropylsulfanyl)propane?
The canonical SMILES for 1,2-dibromo-3-(2,3-dibromopropylsulfanyl)propane is BrCC(Br)CSCC(Br)CBr.
What is the InChIKey of 1,2-dibromo-3-(2,3-dibromopropylsulfanyl)propane?
The InChIKey is JQNMYGUHQKMHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Br4S/c7-1-5(9)3-11-4-6(10)2-8/h5-6H,1-4H2.
What are the key properties of 1,2-dibromo-3-(2,3-dibromopropylsulfanyl)propane?
1,2-dibromo-3-(2,3-dibromopropylsulfanyl)propane has a molecular weight of 433.83 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-3-(2,3-dibromopropylsulfanyl)propane is sourced from PubChem (CID 87354604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).