Basic information
- CAS
738528-09-1- Standard SMILES
N=c1sc2c(n1O)CCC2- InChIKey
WLQKCALWPCEPQY-UHFFFAOYSA-N- Molecular formula
- C6H8N2OS
- Average molar mass
- 156.21 g/mol
- Monoisotopic mass
- 156.03573406
Names & identifiers
- Preferred name
- 2-Imino-5,6-dihydro-2H-cyclopenta[d][1,3]thiazol-3(4H)-ol
- IUPAC
- 3-hydroxy-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-imine
- English name
- 2H-Cyclopentathiazol-2-imine, 3,4,5,6-tetrahydro-3-hydroxy- (9CI)
- Molecular formula
- C6H8N2OS
- Molecular weight
- 156.21
Names & synonyms
2-Imino-5,6-dihydro-2H-cyclopenta[d][1,3]thiazol-3(4H)-ol738528-09-1DTXSID40873311WLQKCALWPCEPQY-UHFFFAOYSA-N2H-Cyclopentathiazol-2-imine, 3,4,5,6-tetrahydro-3-hydroxy-2-Imino-5,6-dihydro-2H-cyclopenta[d][1,3]thiazol-3(4H)-ol #2H-Cyclopentathiazol-2-imine, 3,4,5,6-tetrahydro-3-hydroxy- (9CI)
Database identifiers
- CAS
738528-09-1- PubChem CID
- 587462
- DTXSID
DTXSID40873311- Nikkaji
- J411.629A
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Boiling point
- 305 · 305.0±25.0 °C(Predicted)
- Density
- 1.71 · 1.71±0.1 g/cm3(Predicted)
- pka
- 9.53 · 9.53±0.20(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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