3,5-bis(bromomethyl)-1,4-thiaselenane

C6H10Br2SSe — CID 71383031

IUPAC3,5-bis(bromomethyl)-1,4-thiaselenane
SMILESBrCC1CSCC(CBr)[Se]1
InChIInChI=1S/C6H10Br2SSe/c7-1-5-3-9-4-6(2-8)10-5/h5-6H,1-4H2
InChIKeyNADFJHBYLWGTRU-UHFFFAOYSA-N
MW352.98 g/mol
LogP2.80
Rot. Bonds2

About 3,5-bis(bromomethyl)-1,4-thiaselenane

3,5-bis(bromomethyl)-1,4-thiaselenane (PubChem CID 71383031) has the molecular formula C6H10Br2SSe and a molecular weight of 352.98 g/mol. Its IUPAC name is 3,5-bis(bromomethyl)-1,4-thiaselenane.

Molecular Properties

Compound Name3,5-bis(bromomethyl)-1,4-thiaselenane
PubChem CID71383031
Molecular FormulaC6H10Br2SSe
Molecular Weight352.98 g/mol
Exact Mass351.80
IUPAC Name3,5-bis(bromomethyl)-1,4-thiaselenane
SMILESBrCC1CSCC(CBr)[Se]1
InChIInChI=1S/C6H10Br2SSe/c7-1-5-3-9-4-6(2-8)10-5/h5-6H,1-4H2
InChIKeyNADFJHBYLWGTRU-UHFFFAOYSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.98
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(bromomethyl)-1,4-thiaselenane?
The IUPAC name of 3,5-bis(bromomethyl)-1,4-thiaselenane (CID 71383031) is 3,5-bis(bromomethyl)-1,4-thiaselenane.
What is the SMILES notation for 3,5-bis(bromomethyl)-1,4-thiaselenane?
The canonical SMILES for 3,5-bis(bromomethyl)-1,4-thiaselenane is BrCC1CSCC(CBr)[Se]1.
What is the InChIKey of 3,5-bis(bromomethyl)-1,4-thiaselenane?
The InChIKey is NADFJHBYLWGTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Br2SSe/c7-1-5-3-9-4-6(2-8)10-5/h5-6H,1-4H2.
What are the key properties of 3,5-bis(bromomethyl)-1,4-thiaselenane?
3,5-bis(bromomethyl)-1,4-thiaselenane has a molecular weight of 352.98 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(bromomethyl)-1,4-thiaselenane is sourced from PubChem (CID 71383031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).