Acenaphtho(1,2-d)thiazol-8-amine
Basic information
- CAS
7496-68-6- Standard SMILES
Nc1nc2c(s1)-c1cccc3cccc-2c13- InChIKey
RSGQPCGXMIJQSP-UHFFFAOYSA-N- Molecular formula
- C13H8N2S
- Average molar mass
- 224.28 g/mol
- Monoisotopic mass
- 224.04081944
Names & identifiers
- Preferred name
- Acenaphtho(1,2-d)thiazol-8-amine
- IUPAC
- acenaphthyleno[1,2-d][1,3]thiazol-8-amine
- English name
- 7-Thia-9-aza-cyclopenta[a]acenaphthylen-8-ylamine
- Molecular formula
- C13H8N2S
- Molecular weight
- 224.28
Names & synonyms
7496-68-6Acenaphtho(1,2-d)thiazol-8-amineacenaphtho[1,2-d]thiazol-8-aminePV5P9QGJ3FUNII-PV5P9QGJ3FNSC 405312NSC-405312DTXSID10225924RefChem:108756DTXCID40148415acenaphtho[1,2-d][1,3]thiazol-8-amine7-Thia-9-aza-cyclopenta[a]acenaphthylen-8-ylamine
Show more names
acenaphthyleno[1,2-d][1,3]thiazol-8-amineF2146-0049NSC405312SMSSF-0017249acenaphthyleno[1,2-d]thiazol-8-amineAKOS000122149EN300-0226611-thia-13-azatetracyclo[7.5.1.0,(1).0(1),(1)]pentadeca-1,3,5(15),6,8,10(14),12-heptaen-12-ylamine
Database identifiers
- CAS
7496-68-6- PubChem CID
- 101288
- DTXSID
DTXSID10225924- UNII
- PV5P9QGJ3F
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- Boiling point
- 449.8 · 449.8±28.0 °C(Predicted)
- Density
- 1.526 · 1.526±0.06 g/cm3(Predicted)
- pka
- 1.91 · 1.91±0.70(Predicted)
- FDA UNII
- 5 P9QGJ3F · PV5P9QGJ3F
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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