Basic information
- CAS
21679-20-9- Standard SMILES
NC1=NCC(CSS(=O)(=O)O)S1- InChIKey
ZMZBSCWNSHZWNK-UHFFFAOYSA-N- Molecular formula
- C4H8N2O3S3
- Average molar mass
- 228.3 g/mol
- Monoisotopic mass
- 227.96970564
Names & identifiers
- Preferred name
- Methanethiol, (2-amino-2-thiazolin-5-yl)-, hydrogen sulfate (ester)
- IUPAC
- 2-amino-5-(sulfosulfanylmethyl)-4,5-dihydro-1,3-thiazole
Names & synonyms
21679-20-9Methanethiol, (2-amino-2-thiazolin-5-yl)-, hydrogen sulfate (ester)RefChem:1089090(2-Amino-2-thiazolin-5-yl)methylthiosulfuric acidNSC139604NSC 139604BRN 1573503DTXSID201384974Thiosulfuric acid, S-((2-amino-2-thiazolin-5-yl)methyl) esterNSC-139604
Database identifiers
- CAS
21679-20-9- PubChem CID
- 98463
- DTXSID
DTXSID201384974- Nikkaji
- J85.438G
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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