Basic information
- CAS
2877-70-5- Standard SMILES
Cc1nc(N)nc(C)c1N=Nc1ccc(S(=O)(=O)O)cc1- InChIKey
MIRMPZJQPLOTPK-UHFFFAOYSA-N- Molecular formula
- C12H13N5O3S
- Average molar mass
- 307.33 g/mol
- Monoisotopic mass
- 307.07391047
Names & identifiers
- Preferred name
- p-((2-Amino-4,6-dimethyl-5-pyrimidinyl)azo)benzenesulfonic acid
- IUPAC
- 4-[(2-amino-4,6-dimethylpyrimidin-5-yl)diazenyl]benzenesulfonic acid
Names & synonyms
BRN 0317112PY-68p-((2-Amino-4,6-dimethyl-5-pyrimidinyl)azo)benzenesulfonic acidBenzenesulfonic acid, p-((2-amino-4,6-dimethyl-5-pyrimidinyl)azo)-2877-70-54-25-00-04660 (Beilstein Handbook Reference)
Database identifiers
- CAS
2877-70-5- PubChem CID
- 200859
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 458
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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