Basic information
- CAS
303177-02-8- Standard SMILES
CC1(C)Cc2nc3sc4c(Cl)ncnc4c3cc2CS1- InChIKey
JHHGKFFMQDARIY-UHFFFAOYSA-N- Molecular formula
- C14H12ClN3S2
- Average molar mass
- 321.9 g/mol
- Monoisotopic mass
- 321.0161174
Names & identifiers
- Preferred name
- 1-Chloro-8,8-dimethyl-8,9-dihydro-6H-7,11-dithia-2,4,10-triaza-benzo[b]fluorene
- IUPAC
- 15-chloro-5,5-dimethyl-6,17-dithia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene
- English name
- 4-chloro-8,8-dimethyl-7,10-dihydro-8H-thiopyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
- Molecular formula
- C14H12ClN3S2
- Molecular weight
- 321.85
Names & synonyms
303177-02-84-chloro-8,8-dimethyl-7,10-dihydro-8H-thiopyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine1-Chloro-8,8-dimethyl-8,9-dihydro-6H-7,11-dithia-2,4,10-triaza-benzo[b]fluoreneOprea1_350145Oprea1_423915MLS000525880STL324158AKOS00050517915-chloro-5,5-dimethyl-6,17-dithia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaeneSMR000116354ST50227838AG-690/10399009
Show more names
8H-Thiopyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 4-chloro-7,10-dihydro-8,8-dimethyl-
SR-01000312112SR-01000312112-1BRD-K24234289-001-02-04-chloro-8,8-dimethyl-7H,10H-thiano[5'',4''-6',5']pyridino[2',3'-2,3]thiopheno [4,5-d]pyrimidine4-chloro-8,8-dimethyl-8,10-dihydro-7H-thiopyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Database identifiers
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 395
Physicochemical properties
- Boiling point
- 517 · 517.0±50.0 °C(Predicted)
- Density
- 1.44 · 1.440±0.06 g/cm3(Predicted)
- pka
- 0.21 · 0.21±0.40(Predicted)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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