3-(Methylthio)-5-(propylthio)-4-isothiazolecarbonitrile
Basic information
- CAS
37572-29-5- Standard SMILES
CCCSc1snc(SC)c1C#N- InChIKey
XQOPRFISYFTQQB-UHFFFAOYSA-N- Molecular formula
- C8H10N2S3
- Average molar mass
- 230.4 g/mol
- Monoisotopic mass
- 230.00061185
Names & identifiers
- Preferred name
- 3-(Methylthio)-5-(propylthio)-4-isothiazolecarbonitrile
- IUPAC
- 3-methylsulfanyl-5-propylsulfanyl-1,2-thiazole-4-carbonitrile
- English name
- 3-(Methylthio)-5-(propylthio)-4-isothiazolecarbonitrile
- Molecular weight
- 0
Names & synonyms
37572-29-53-(Methylthio)-5-(propylthio)-4-isothiazolecarbonitrileRefChem:2757214-Isothiazolecarbonitrile, 3-(methylthio)-5-(propylthio)-XQOPRFISYFTQQB-UHFFFAOYSA-NDTXSID2012045963-(methylsulfanyl)-5-(propylsulfanyl)-1,2-thiazole-4-carbonitrileDB-2618213-(Methylsulfanyl)-5-(propylsulfanyl)-4-isothiazolecarbonitrile #
Database identifiers
- CAS
37572-29-5- PubChem CID
- 615481
- DTXSID
DTXSID201204596- Nikkaji
- J139.747H
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 201
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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