Basic information
- CAS
65611-89-4- Standard SMILES
C#CCSc1nc2ccc(N)cc2s1- InChIKey
RMFHLGNXYZQZGF-UHFFFAOYSA-N- Molecular formula
- C10H8N2S2
- Average molar mass
- 220.3 g/mol
Names & identifiers
- Preferred name
- 2-Prop-2-ynylsulfanyl-1,3-benzothiazol-6-amine
- IUPAC
- 2-prop-2-ynylsulfanyl-1,3-benzothiazol-6-amine
- English name
- 6-Benzothiazolamine,2-(2-propynylthio)-(9CI)
- Molecular formula
- C10H8N2S2
- Molecular weight
- 220.31
Names & synonyms
65611-89-46-Benzothiazolamine, 2-(2-propynylthio)-DB-2842286-Benzothiazolamine, 2-(2-propyn-1-ylthio)-6-Benzothiazolamine,2-(2-propynylthio)-(9CI)
Database identifiers
- CAS
65611-89-4
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 92.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 248
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…