3-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzenesulfonyl fluoride; ethanesulfonic acid
Basic information
- CAS
19159-36-5- Standard SMILES
CC1(C)N=C(N)N=C(N)N1c1cccc(S(=O)(=O)F)c1.CCS(=O)(=O)O- InChIKey
WLPLQGLNXMZKNN-UHFFFAOYSA-N- Molecular formula
- C13H20FN5O5S2
- Average molar mass
- 409.5 g/mol
- Monoisotopic mass
- 409.08898926
Names & identifiers
- Preferred name
- 3-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzenesulfonyl fluoride; ethanesulfonic acid
- IUPAC
- 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzenesulfonyl fluoride;ethanesulfonic acid
Names & synonyms
NSC11322719159-36-53-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzenesulfonyl fluoride; ethanesulfonic acidDTXSID20297031NSC-113227DS-0010013-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzenesulfonyl FluorideEthanesulfonic acid - 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)benzenesulfonyl fluoride (1:1)Ethanesulfonic acid--3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)benzene-1-sulfonyl fluoride (1/1)
Database identifiers
- CAS
19159-36-5- PubChem CID
- 270645
- DTXSID
DTXSID20297031
Properties
Computed structural properties
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 657
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…