2,5-bis(bromomethyl)thiolane

C6H10Br2S — CID 86249029

IUPAC2,5-bis(bromomethyl)thiolane
SMILESBrCC1CCC(CBr)S1
InChIInChI=1S/C6H10Br2S/c7-3-5-1-2-6(4-8)9-5/h5-6H,1-4H2
InChIKeyFGHKXTDGDXVTSS-UHFFFAOYSA-N
MW274.02 g/mol
LogP3.04
Rot. Bonds2

About 2,5-bis(bromomethyl)thiolane

2,5-bis(bromomethyl)thiolane (PubChem CID 86249029) has the molecular formula C6H10Br2S and a molecular weight of 274.02 g/mol. Its IUPAC name is 2,5-bis(bromomethyl)thiolane.

Molecular Properties

Compound Name2,5-bis(bromomethyl)thiolane
PubChem CID86249029
Molecular FormulaC6H10Br2S
Molecular Weight274.02 g/mol
Exact Mass271.89
IUPAC Name2,5-bis(bromomethyl)thiolane
SMILESBrCC1CCC(CBr)S1
InChIInChI=1S/C6H10Br2S/c7-3-5-1-2-6(4-8)9-5/h5-6H,1-4H2
InChIKeyFGHKXTDGDXVTSS-UHFFFAOYSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.02
LogP ≤ 53.04
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 2,5-bis(bromomethyl)thiolane?
The IUPAC name of 2,5-bis(bromomethyl)thiolane (CID 86249029) is 2,5-bis(bromomethyl)thiolane.
What is the SMILES notation for 2,5-bis(bromomethyl)thiolane?
The canonical SMILES for 2,5-bis(bromomethyl)thiolane is BrCC1CCC(CBr)S1.
What is the InChIKey of 2,5-bis(bromomethyl)thiolane?
The InChIKey is FGHKXTDGDXVTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Br2S/c7-3-5-1-2-6(4-8)9-5/h5-6H,1-4H2.
What are the key properties of 2,5-bis(bromomethyl)thiolane?
2,5-bis(bromomethyl)thiolane has a molecular weight of 274.02 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(bromomethyl)thiolane is sourced from PubChem (CID 86249029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).