Basic information
- CAS
130997-66-9- Standard SMILES
Br.N=c1sc2cc(OC(F)(F)F)ccc2n1CC1CC1- InChIKey
JYPIFLPNKOTUIN-UHFFFAOYSA-N- Molecular formula
- C12H12BrF3N2OS
- Average molar mass
- 369.2 g/mol
- Monoisotopic mass
- 367.98058076
Names & identifiers
- Preferred name
- 2(3H)-Benzothiazolimine, 3-(cyclopropylmethyl)-6-(trifluoromethoxy)-, monohydrobromide
- IUPAC
- 3-(cyclopropylmethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine;hydrobromide
- English name
- 3-(cyclopropylmethyl)-6-(trifluoromethoxy)benzothiazol-2-imine hydrobr omide
- Molecular formula
- C12H12BrF3N2OS
- Molecular weight
- 0
Names & synonyms
130997-66-92(3H)-Benzothiazolimine, 3-(cyclopropylmethyl)-6-(trifluoromethoxy)-, monohydrobromideRefChem:10587103-Cyclopropylmethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrobromide3-(cyclopropylmethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine hydrobromide3-(Cyclopropylmethyl)-6-(trifluoromethoxy)-2(3H)-benzothiazolimine monohydrobromide3-(cyclopropylmethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine;hydrobromideSCHEMBL9780489DTXSID009270213-(CYCLOPROPYLMETHYL)-6-(TRIFLUOROMETHOXY)BENZOTHIAZOL-2-IMINE HYDROBR OMIDE3-(Cyclopropylmethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2(3H)-imine--hydrogen bromide (1/1)
Database identifiers
- CAS
130997-66-9- PubChem CID
- 3076408
- DTXSID
DTXSID00927021
Properties
Computed structural properties
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 372
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
1 records
Compound notes
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