CI-624
Basic information
- CAS
700-07-2- Standard SMILES
CNc1snc2ccccc12- InChIKey
ARUJVDNZYGIUGB-UHFFFAOYSA-N- Molecular formula
- C8H8N2S
- Average molar mass
- 164.23 g/mol
- Monoisotopic mass
- 164.04081944
Names & identifiers
- Preferred name
- CI-624
- IUPAC
- N-methyl-2,1-benzothiazol-3-amine
Names & synonyms
3-(Methylamino)-2,1-benzisothiazoleN-Methyl-2,1-benzisothiazol-3-amineCI 624CI-624BRN 10727582,1-Benzisothiazole, 3-(methylamino)-DVJ526480GUNII-DVJ526480GCI6242,1-Benzisothiazol-3-amine, N-methyl-RefChem:200169700-07-2
Show more names
N-Methylbenzo[c]isothiazol-3-amineN-methyl-2,1-benzothiazol-3-amineorb3028985SCHEMBL18879073DTXSID301343620AKOS014777053T206138
Database identifiers
- CAS
700-07-2- PubChem CID
- 16984
- DTXSID
DTXSID301343620- UNII
- DVJ526480G
- EC Number
- 173-839-4
- Nikkaji
- J629.900H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 53.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 140
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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