Basic information
- CAS
77726-64-8- Standard SMILES
CSc1snc2sc(C(N)=O)c(N)c12- InChIKey
FFYBNHFKGIMFQT-UHFFFAOYSA-N- Molecular formula
- C7H7N3OS3
- Average molar mass
- 245.4 g/mol
- Monoisotopic mass
- 244.97512538
Names & identifiers
- Preferred name
- Thieno(2,3-c)isothiazole-5-carboxamide, 4-amino-3-(methylthio)-
- IUPAC
- 4-amino-3-methylsulfanylthieno[2,3-c][1,2]thiazole-5-carboxamide
Names & synonyms
BRN 4255049Thieno(2,3-c)isothiazole-5-carboxamide, 4-amino-3-(methylthio)-77726-64-84-Amino-3-(methylthio)thieno(2,3-c)isothiazole-5-carboxamideDTXSID60228349RefChem:384924DTXCID30150840FFYBNHFKGIMFQT-UHFFFAOYSA-NAG-205/37022079Thieno[2,3-c]isothiazole, 3-methylthio-4-amino-5-carbamyl-4-Amino-3-(methylsulfanyl)thieno[2,3-c]isothiazole-5-carboxamide4-Amino-3-(methylsulfanyl)thieno[2,3-c]isothiazole-5-carboxamide #
Show more names
4-amino-3-(methylsulfanyl)thieno[2,3-c][1,2]thiazole-5-carboxamide
Database identifiers
- CAS
77726-64-8- PubChem CID
- 618665
- DTXSID
DTXSID60228349
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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