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

C8H14Br2S2 — CID 139888095

IUPAC2,5-bis(bromomethyl)-2,5-dimethyl-1,4-dithiane
SMILESCC1(CBr)CSC(C)(CBr)CS1
InChIInChI=1S/C8H14Br2S2/c1-7(3-9)5-12-8(2,4-10)6-11-7/h3-6H2,1-2H3
InChIKeyFPELJNAIPAMYCB-UHFFFAOYSA-N
MW334.14 g/mol
LogP3.77
Rot. Bonds2

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

2,5-bis(bromomethyl)-2,5-dimethyl-1,4-dithiane (PubChem CID 139888095) has the molecular formula C8H14Br2S2 and a molecular weight of 334.14 g/mol. Its IUPAC name is 2,5-bis(bromomethyl)-2,5-dimethyl-1,4-dithiane.

Molecular Properties

Compound Name2,5-bis(bromomethyl)-2,5-dimethyl-1,4-dithiane
PubChem CID139888095
Molecular FormulaC8H14Br2S2
Molecular Weight334.14 g/mol
Exact Mass331.89
IUPAC Name2,5-bis(bromomethyl)-2,5-dimethyl-1,4-dithiane
SMILESCC1(CBr)CSC(C)(CBr)CS1
InChIInChI=1S/C8H14Br2S2/c1-7(3-9)5-12-8(2,4-10)6-11-7/h3-6H2,1-2H3
InChIKeyFPELJNAIPAMYCB-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.14
LogP ≤ 53.77
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

2-(Bromomethyl)-1,4-dithiane
CID 20706937
2,5-Bis(bromomethyl)-1,4-dithiane
CID 67319976
2,2-Bis(bromomethyl)-1,4-dithiane
CID 157897772
2-[(2S)-1-bromopropan-2-yl]-1,3-dithiane
CID 11207207
2-[(2R)-1-bromopropan-2-yl]-1,3-dithiane
CID 101762737

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(bromomethyl)-2,5-dimethyl-1,4-dithiane?
The IUPAC name of 2,5-bis(bromomethyl)-2,5-dimethyl-1,4-dithiane (CID 139888095) is 2,5-bis(bromomethyl)-2,5-dimethyl-1,4-dithiane.
What is the SMILES notation for 2,5-bis(bromomethyl)-2,5-dimethyl-1,4-dithiane?
The canonical SMILES for 2,5-bis(bromomethyl)-2,5-dimethyl-1,4-dithiane is CC1(CBr)CSC(C)(CBr)CS1.
What is the InChIKey of 2,5-bis(bromomethyl)-2,5-dimethyl-1,4-dithiane?
The InChIKey is FPELJNAIPAMYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Br2S2/c1-7(3-9)5-12-8(2,4-10)6-11-7/h3-6H2,1-2H3.
What are the key properties of 2,5-bis(bromomethyl)-2,5-dimethyl-1,4-dithiane?
2,5-bis(bromomethyl)-2,5-dimethyl-1,4-dithiane has a molecular weight of 334.14 g/mol, XLogP of 3.77, 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)-2,5-dimethyl-1,4-dithiane is sourced from PubChem (CID 139888095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).