1,3,4-Dithiazole, 5-ethylthio-, 3,3-dioxide
Basic information
- CAS
18137-09-2- Standard SMILES
CCSC1=NS(=O)(=O)CS1- InChIKey
MXMIQPYJDRYAAU-UHFFFAOYSA-N- Molecular formula
- C4H7NO2S3
- Average molar mass
- 197.3 g/mol
- Monoisotopic mass
- 196.96389199
Names & identifiers
- Preferred name
- 1,3,4-Dithiazole, 5-ethylthio-, 3,3-dioxide
- IUPAC
- 3-ethylsulfanyl-1,4,2-dithiazole 1,1-dioxide
- English name
- 3-(Ethylthio)-1,4,2-dithiazole 1,1-dioxide
- Molecular formula
- C4H7NO2S3
- Molecular weight
- 197.3
Names & synonyms
1,3,4-DITHIAZOLE, 5-ETHYLTHIO-, 3,3-DIOXIDE18137-09-2BRN 10733855-Ethylmercapto-1,3,4-dithiazol-3-dioxideDTXSID60171129RefChem:216812DTXCID10936203-ethylsulfanyl-1,4,2-dithiazole 1,1-dioxide3-(Ethylthio)-1,4,2-dithiazole 1,1-dioxide3-(Ethylsulfanyl)-1lambda~6~,4,2-dithiazole-1,1(5H)-dione1,4,2-Dithiazole, 3-(ethylthio)-, 1,1-dioxide (8CI)
Database identifiers
- CAS
18137-09-2- PubChem CID
- 28904
- DTXSID
DTXSID60171129
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 238
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Compound notes
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