2,1,3-Benzothiadiazole, 4-(2-thiazolidinyl)-
Basic information
- CAS
71605-69-1- Standard SMILES
c1cc(C2NCCS2)c2nsnc2c1- InChIKey
JSHUJJZBADNCLQ-UHFFFAOYSA-N- Molecular formula
- C9H9N3S2
- Average molar mass
- 223.3 g/mol
- Monoisotopic mass
- 223.02378965
Names & identifiers
- Preferred name
- 2,1,3-Benzothiadiazole, 4-(2-thiazolidinyl)-
- IUPAC
- 4-(1,3-thiazolidin-2-yl)-2,1,3-benzothiadiazole
Names & synonyms
2,1,3-Benzothiadiazole, 4-(2-thiazolidinyl)-71605-69-1RefChem:1058796BRN 54077452-(4-Benzo-2,1,3-thiadiazolyl)thiazolidine4-(2-Thiazolidinyl)-2,1,3-benzothiadiazole4-(1,3-thiazolidin-2-yl)-2,1,3-benzothiadiazoleDTXSID40992157
Database identifiers
- CAS
71605-69-1- PubChem CID
- 3054698
- DTXSID
DTXSID40992157
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 214
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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