6-Methyl-1,3-benzothiazole-2,4-diamine
Basic information
- CAS
1071346-94-5- Standard SMILES
Cc1cc(N)c2nc(N)sc2c1- InChIKey
ATMSLSAMHWYQBB-UHFFFAOYSA-N- Molecular formula
- C8H9N3S
- Average molar mass
- 179.24 g/mol
- Monoisotopic mass
- 179.05171847
Names & identifiers
- Preferred name
- 6-Methyl-1,3-benzothiazole-2,4-diamine
- IUPAC
- 6-methyl-1,3-benzothiazole-2,4-diamine
- English name
- 6-methyl-1,3-benzothiazole-2,4-diamine(SALTDATA: FREE)
- Molecular formula
- C8H9N3S
- Molecular weight
- 179.24
Names & synonyms
6-methyl-1,3-benzothiazole-2,4-diamine1071346-94-56-Methylbenzo[d]thiazole-2,4-diamineMFCD11695879A1EGDSCHEMBL21091214DTXSID20649435BBL002764STK498873AKOS000299557CCG-320839VS-01207
Show more names
2,4-Benzothiazolediamine, 6-methyl-6-methyl-1,3-benzothiazole-2,4-diamine(SALTDATA6-methyl-1,3-benzothiazole-2,4-diamine(SALTDATA: FREE)
2-amino-6-methyl-1,3-benzothiazol-4-ylamineF311908
Database identifiers
- CAS
1071346-94-5- PubChem CID
- 25239403
- DTXSID
DTXSID20649435
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 93.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Boiling point
- 407.224 · 407.224±37.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.41 · 1.410±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 5.955 · 5.955±0.10(predicted)
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…