Carbazochrome sulfonate
Basic information
- CAS
70063-04-6- Standard SMILES
CN1c2cc(O)c(N=NC(N)=O)cc2CC1S(=O)(=O)O- InChIKey
OZCACMPSTYQSMM-UHFFFAOYSA-N- Molecular formula
- C10H12N4O5S
- Average molar mass
- 300.29 g/mol
- Monoisotopic mass
- 300.05284067
Overview
Carbazochrome sulfonate is a member of indoles.
Names & identifiers
- Preferred name
- Carbazochrome sulfonate
- IUPAC
- 5-(carbamoyldiazenyl)-6-hydroxy-1-methyl-2,3-dihydroindole-2-sulfonic acid
- English name
- 2-Indolinesulfonic acid, 5,6-dihydro-1-methyl-5,6-dioxo-, 5-semicarbazone (6CI)
- Molecular formula
- C10H12N4O5S
- Molecular weight
- 300.29
Names & synonyms
Carbazochrome sulfonateRefChem:33322970063-04-6CARBAZOCHROME SULFONIC ACID2-Indolinesulfonic acid, 5,6-dihydro-1-methyl-5,6-dioxo-, 5-semicarbazoneBMQ12812QR1H-Indole-2-sulfonic acid, 5-((aminocarbonyl)hydrazono)-2,3,5,6-tetrahydro-1-methyl-6-oxo-5-(2-Carbamoylhydrazineylidene)-1-methyl-6-oxo-2,3,5,6-tetrahydro-1H-indole-2-sulfonic acid5-(2-Carbamoylhydrazono)-1-methyl-6-oxo-2,3,5,6-tetrahydro-1H-indole-2-sulfonic acidCarbazochrome Impurity 15-(carbamoyldiazenyl)-6-hydroxy-1-methyl-2,3-dihydroindole-2-sulfonic acidCarbazochrome sodium sulfonate(AC-17)
Show more names
OZCACMPSTYQSMM-SDQBBNPISA-NCarbazochrome Impurity 32 Monomer (Mixture of E/Z-isomers)2-Indolinesulfonic acid, 5,6-dihydro-1-methyl-5,6-dioxo-, 5-semicarbazone (6CI)1H-Indole-2-sulfonic acid, 5-[(aminocarbonyl)hydrazono]-2,3,5,6-tetrahydro-1-methyl-6-oxo-
UNII-BMQ12812QRSCHEMBL9816908SCHEMBL9816914CHEMBL1697827CHEMBL2365670CHEMBL4303796SCHEMBL11946699SCHEMBL30565403
Database identifiers
- CAS
70063-04-6、942468-12-4- PubChem CID
- 40018
- DTXSID
DTXSID00873059- ChEMBL
CHEMBL1697827、CHEMBL2365670、CHEMBL4303796- ChEBI
CHEBI:183908- UNII
- BMQ12812QR
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 516
Physicochemical properties
- Density
- 1.821 · 1.821±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -1.618 · -1.618±0.20(predicted)
- FDA UNII
- 12812 QR · BMQ12812QR
Chemistry & industry
Additional notes
DefinitionChEBI: Carbazochrome sulfonate is a member of indoles.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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