4-Isothiazolamine, 3,5-bis(methylthio)-
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Basic information
- CAS
37572-42-2- Standard SMILES
CSc1nsc(SC)c1N- InChIKey
LZRRNFJVLQLISO-UHFFFAOYSA-N- Molecular formula
- C5H8N2S3
- Average molar mass
- 192.3 g/mol
- Monoisotopic mass
- 191.98496178
Names & identifiers
- Preferred name
- 4-Isothiazolamine, 3,5-bis(methylthio)-
- IUPAC
- 3,5-bis(methylsulfanyl)-1,2-thiazol-4-amine
- English name
- 3,5-Bis(methylthio)-4-isothiazolamine
- Molecular weight
- 0
Names & synonyms
3,5-Bis(methylthio)-4-isothiazolamine4-Isothiazolamine, 3,5-bis(methylthio)-LZRRNFJVLQLISO-UHFFFAOYSA-N37572-42-2DB-2619423,5-Bis(methylsulfanyl)-4-isothiazolamine #
Database identifiers
- CAS
37572-42-2- PubChem CID
- 605979
- Nikkaji
- J139.744C
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 111
Related reactions
0 records
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Compound notes
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