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2,3-Dihydro-2,5-dimethyl-1,4-dithiin 1,1,4,4-tetraoxide

HCID 100899
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Basic information

CAS
58951-08-9
Standard SMILES
CC1=CS(=O)(=O)C(C)CS1(=O)=O
InChIKey
WICDRHMSCYGNQI-UHFFFAOYSA-N
Molecular formula
C6H10O4S2
Average molar mass
210.3 g/mol
Monoisotopic mass
210.00205114

Overview

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Names & identifiers

Preferred name
2,3-Dihydro-2,5-dimethyl-1,4-dithiin 1,1,4,4-tetraoxide
IUPAC
2,5-dimethyl-2,3-dihydro-1,4-dithiine 1,1,4,4-tetraoxide
English name
2,3-dihydro-2,5-dimethyl-1,4-dithiin 1,1,4,4-tetraoxide
Molecular formula
C6H10O4S2
Molecular weight
210.27

Names & synonyms

2,3-Dihydro-2,5-dimethyl-1,4-dithiin 1,1,4,4-tetraoxide58951-08-9EINECS 261-518-2SCHEMBL11404017DTXSID50974449WICDRHMSCYGNQI-UHFFFAOYSA-NDB-239468NS000562022,5-Dimethyl-2,3-dihydro-1lambda~6~,4lambda~6~-dithiine-1,1,4,4-tetrone1,4-Dithiin, 2,3-dihydro-2,5-dimethyl-, 1,1,4,4-tetraoxide

Database identifiers

CAS
58951-08-9
PubChem CID
100899
DTXSID
DTXSID50974449
EC Number
261-518-2

Properties

Computed structural properties

XLogP
-0.4
Topological polar surface area
85 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
12
Formal charge
0
Complexity
401

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Compound notes

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