2,5-bis(bromomethyl)-1,4-dithiane

C6H10Br2S2 — CID 67319976

IUPAC2,5-bis(bromomethyl)-1,4-dithiane
SMILESBrCC1CSC(CBr)CS1
InChIInChI=1S/C6H10Br2S2/c7-1-5-3-10-6(2-8)4-9-5/h5-6H,1-4H2
InChIKeyMNGAWPOJPNONED-UHFFFAOYSA-N
MW306.09 g/mol
LogP2.99
Rot. Bonds2

About 2,5-bis(bromomethyl)-1,4-dithiane

2,5-bis(bromomethyl)-1,4-dithiane (PubChem CID 67319976) has the molecular formula C6H10Br2S2 and a molecular weight of 306.09 g/mol. Its IUPAC name is 2,5-bis(bromomethyl)-1,4-dithiane.

Molecular Properties

Compound Name2,5-bis(bromomethyl)-1,4-dithiane
PubChem CID67319976
Molecular FormulaC6H10Br2S2
Molecular Weight306.09 g/mol
Exact Mass303.86
IUPAC Name2,5-bis(bromomethyl)-1,4-dithiane
SMILESBrCC1CSC(CBr)CS1
InChIInChI=1S/C6H10Br2S2/c7-1-5-3-10-6(2-8)4-9-5/h5-6H,1-4H2
InChIKeyMNGAWPOJPNONED-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.09
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-1,4-dithiane?
The IUPAC name of 2,5-bis(bromomethyl)-1,4-dithiane (CID 67319976) is 2,5-bis(bromomethyl)-1,4-dithiane.
What is the SMILES notation for 2,5-bis(bromomethyl)-1,4-dithiane?
The canonical SMILES for 2,5-bis(bromomethyl)-1,4-dithiane is BrCC1CSC(CBr)CS1.
What is the InChIKey of 2,5-bis(bromomethyl)-1,4-dithiane?
The InChIKey is MNGAWPOJPNONED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Br2S2/c7-1-5-3-10-6(2-8)4-9-5/h5-6H,1-4H2.
What are the key properties of 2,5-bis(bromomethyl)-1,4-dithiane?
2,5-bis(bromomethyl)-1,4-dithiane has a molecular weight of 306.09 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(bromomethyl)-1,4-dithiane is sourced from PubChem (CID 67319976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).