Thieno(2,3-c)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)-
Basic information
- CAS
135518-37-5- Standard SMILES
N#Cc1sc2nsc(SCc3ccc(F)cc3)c2c1N- InChIKey
PNPOQNUTWWUXTJ-UHFFFAOYSA-N- Molecular formula
- C13H8FN3S3
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 320.98643895
Names & identifiers
- Preferred name
- Thieno(2,3-c)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)-
- IUPAC
- 4-amino-3-[(4-fluorophenyl)methylsulfanyl]thieno[2,3-c][1,2]thiazole-5-carbonitrile
Names & synonyms
BRN 4266406Thieno(2,3-c)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)-135518-37-54-Amino-3-(((4-fluorophenyl)methyl)thio)thieno(2,3-c)isothiazole-5-carbonitrileDTXSID40159440RefChem:384918DTXCID40819314-Amino-3-{[(4-fluorophenyl)methyl]sulfanyl}thieno[2,3-c][1,2]thiazole-5-carbonitrile
Database identifiers
- CAS
135518-37-5- PubChem CID
- 3077802
- DTXSID
DTXSID40159440
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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