Basic information
- CAS
1949816-70-9- Standard SMILES
Br.C=CCn1c(=N)sc2cc3c(cc21)OCO3- InChIKey
KCMNCSMVJGDMHK-UHFFFAOYSA-N- Molecular formula
- C11H11BrN2O2S
- Average molar mass
- 315.19 g/mol
- Monoisotopic mass
- 313.97246
Names & identifiers
- Preferred name
- 7-allyl-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]thiazol-6(7H)-imine hydrobromide
- IUPAC
- 7-prop-2-enyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-imine;hydrobromide
- English name
- 7-Allyl-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]thiazol-6(7H)-imine hydrobromide
- Molecular formula
- C11H11BrN2O2S
- Molecular weight
- 315.19
Names & synonyms
1949816-70-97-allyl-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]thiazol-6(7H)-imine hydrobromide7-prop-2-enyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-imine;hydrobromideMFCD26940488AKOS026676927F515277F2145-05667-allyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-imine;hydrobromide7-allyl-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]thiazol-6(7H)-iminehydrobromide7-allyl-[1,3]dioxolo[4,5:4,5]benzo[1,2-d]thiazol-6(7H)-imine hydrobromide
Database identifiers
- CAS
1949816-70-9- PubChem CID
- 71778919
Properties
Computed structural properties
- Topological polar surface area
- 70.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- 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
Suppliers1 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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