Basic information
- CAS
92739-08-7- Standard SMILES
COP(=S)(OC)Oc1cc(Cl)c(Br)cc1Cl.c1ccc2[nH]c(-c3cscn3)nc2c1- InChIKey
IKEVJGHHXWCNCM-UHFFFAOYSA-N- Molecular formula
- C18H15BrCl2N3O3PS2
- Average molar mass
- 567.2 g/mol
- Monoisotopic mass
- 564.88529
Names & identifiers
- Preferred name
- Bromotex
- IUPAC
- 4-(1H-benzimidazol-2-yl)-1,3-thiazole;(4-bromo-2,5-dichlorophenoxy)-dimethoxy-sulfanylidene-λ5-phosphane
Names & synonyms
Bromotex92739-08-7DTXSID10239127O-(4-Bromo-2,5-dichlorophenyl) O,O-dimethyl phosphorothioate--2-(1,3-thiazol-4-yl)-1H-1,3-benzimidazole (1/1)Phosphorothioic acid, O-(4-bromo-2,5-dichlorophenyl) O,O-dimethyl ester, mixt. with 2-(4-thiazolyl)-1H-benzimidazole
Database identifiers
- CAS
92739-08-7- PubChem CID
- 185201
- DTXSID
DTXSID10239127
Properties
Computed structural properties
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 488
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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