Basic information
- CAS
871266-83-0- Standard SMILES
O=[N+]([O-])c1ccc(Nc2nc3c(Cl)ncnc3s2)cc1- InChIKey
AGBFROYZKVNMRB-UHFFFAOYSA-N- Molecular formula
- C11H6ClN5O2S
- Average molar mass
- 307.72 g/mol
- Monoisotopic mass
- 306.9930733
Names & identifiers
- Preferred name
- 7-chloro-N-(4-nitrophenyl)thiazolo[5,4-d]pyrimidin-2-amine
- IUPAC
- 7-chloro-N-(4-nitrophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
- English name
- (7-CHLOROTHIAZOLO[5,4-D]PYRIMIDIN-2-YL)-(4-NITROPHENYL)AMINE
- Molecular formula
- C11H6ClN5O2S
- Molecular weight
- 307.72
Names & synonyms
871266-83-07-chloro-N-(4-nitrophenyl)thiazolo[5,4-d]pyrimidin-2-amine(7-Chlorothiazolo[5,4-d]pyrimidin-2-yl)-(4-nitrophenyl)amineCHEMBL38280317-chloro-N-(4-nitrophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine7-Chloro-N-(4-nitrophenyl)[1,3]thiazolo[5,4-d]pyrimidin-2-amineC11H6ClN5O2SDTXSID60469750BDBM50189060MFCD08437194BP-20005CS-0457549
Show more names
Thiazolo[5,4-d]pyrimidin-2-amine, 7-chloro-N-(4-nitrophenyl)-
Database identifiers
- CAS
871266-83-0- PubChem CID
- 11630922
- DTXSID
DTXSID60469750- ChEMBL
CHEMBL3828031
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Boiling point
- 507.6 · 507.6±60.0 °C(Predicted)
- Density
- 1.685 · 1.685±0.06 g/cm3(Predicted)
- pka
- -1.44 · -1.44±0.50(Predicted)
Chemistry & industry
Suppliers6 total
A.J Chemicals[email protected]
TYGER[email protected]
SYNQUEST[email protected]
上海洛茵氟化工有限公司[email protected]
APOLLO-NMR[email protected]
FULCRUM—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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