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Chemical structure of 1,3-Dithiane

GC60011

1,3-Dithiane

Also known as 1,3-dithiane

1,3-Dithiane is a protected formaldehyde anion equivalent that could serve as a useful labeled synthon

ChemicalCAS505-23-7MW120.24FormulaC4H8S2
CAS number
505-23-7
Molecular weight
120.24
Formula
C4H8S2
Solubility
DMSO ： 100 mg/mL (831·67 mM; Need ultrasonic)
InChIKey
WQADWIOXOXRPLN-UHFFFAOYSA-N
Catalogue number
GC60011
Brand
GLPBIO
Computed properties PubChem CID 10451 · XLogP 1.8 · TPSA 50.6 Ų · H-bond donors 0
XLogP
1.8
TPSA
50.6 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
6

SMILES C1CSCSC1

Computed descriptors from PubChem (CID 10451), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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