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

C6H10Br4O2S — CID 119092697

IUPAC1,2-dibromo-3-(2,3-dibromopropylsulfonyl)propane
SMILESO=S(=O)(CC(Br)CBr)CC(Br)CBr
InChIInChI=1S/C6H10Br4O2S/c7-1-5(9)3-13(11,12)4-6(10)2-8/h5-6H,1-4H2
InChIKeyAJVRMHVZGCHBPN-UHFFFAOYSA-N
MW465.83 g/mol
LogP2.72
Rot. Bonds6

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

1,2-dibromo-3-(2,3-dibromopropylsulfonyl)propane (PubChem CID 119092697) has the molecular formula C6H10Br4O2S and a molecular weight of 465.83 g/mol. Its IUPAC name is 1,2-dibromo-3-(2,3-dibromopropylsulfonyl)propane.

Molecular Properties

Compound Name1,2-dibromo-3-(2,3-dibromopropylsulfonyl)propane
PubChem CID119092697
Molecular FormulaC6H10Br4O2S
Molecular Weight465.83 g/mol
Exact Mass461.71
IUPAC Name1,2-dibromo-3-(2,3-dibromopropylsulfonyl)propane
SMILESO=S(=O)(CC(Br)CBr)CC(Br)CBr
InChIInChI=1S/C6H10Br4O2S/c7-1-5(9)3-13(11,12)4-6(10)2-8/h5-6H,1-4H2
InChIKeyAJVRMHVZGCHBPN-UHFFFAOYSA-N
XLogP2.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.83
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Thiophene, 3,4-dibromotetrahydro-, 1,1-dioxide
CID 85797
3-Bromotetrahydrothiophene 1,1-dioxide
CID 95637
rac-(3R,4R)-3,4-dibromo-1lambda6-thiolane-1,1-dione
CID 2772114
4-bromotetrahydro-2H-thiopyran-1,1-dioxide
CID 61563259
Cgwkqcyampdegc-imjsidkusa-
CID 1269050
3-bromotetrahydro-2H-thiopyran 1,1-dioxide
CID 63922873
2,3-Dibromosulfolane
CID 543073
1-Bromo-5-(ethanesulfonyl)pentane
CID 64208737
1,2-Dibromo-3-methylsulfonylpropane
CID 12817184
1,2-Dibromoethyl butyl sulfone
CID 12749391
2,3-Dibromo-2-methyl-1lambda~6~-thiolane-1,1-dione
CID 14090925
2-Bromohexyl bromomethyl sulfone
CID 129748188

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-3-(2,3-dibromopropylsulfonyl)propane?
The IUPAC name of 1,2-dibromo-3-(2,3-dibromopropylsulfonyl)propane (CID 119092697) is 1,2-dibromo-3-(2,3-dibromopropylsulfonyl)propane.
What is the SMILES notation for 1,2-dibromo-3-(2,3-dibromopropylsulfonyl)propane?
The canonical SMILES for 1,2-dibromo-3-(2,3-dibromopropylsulfonyl)propane is O=S(=O)(CC(Br)CBr)CC(Br)CBr.
What is the InChIKey of 1,2-dibromo-3-(2,3-dibromopropylsulfonyl)propane?
The InChIKey is AJVRMHVZGCHBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Br4O2S/c7-1-5(9)3-13(11,12)4-6(10)2-8/h5-6H,1-4H2.
What are the key properties of 1,2-dibromo-3-(2,3-dibromopropylsulfonyl)propane?
1,2-dibromo-3-(2,3-dibromopropylsulfonyl)propane has a molecular weight of 465.83 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-3-(2,3-dibromopropylsulfonyl)propane is sourced from PubChem (CID 119092697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).