Basic information
- CAS
6387-15-1- Standard SMILES
Cc1cc(N)c(O)c(S(=O)(=O)O)c1- InChIKey
GXINVVNDQWECJP-UHFFFAOYSA-N- Molecular formula
- C7H9NO4S
- Average molar mass
- 203.22 g/mol
- Monoisotopic mass
- 203.02522894
Names & identifiers
- Preferred name
- 5-Amino-4-hydroxytoluene-3-sulphonic acid
- IUPAC
- 3-amino-2-hydroxy-5-methylbenzenesulfonic acid
- English name
- 5-amino-4-hydroxytoluene-3-sulphonic acid
- Molecular formula
- C7H9NO4S
- Molecular weight
- 203.22
Names & synonyms
5-Amino-4-hydroxytoluene-3-sulphonic acid6387-15-13-amino-2-hydroxy-5-methylbenzenesulfonic acidEINECS 228-990-13-amino-2-hydroxy-5-methylbenzene-1-sulfonic acidBenzenesulfonic acid, 3-amino-2-hydroxy-5-methyl-SCHEMBL8500961DTXSID30213383GXINVVNDQWECJP-UHFFFAOYSA-NG768CJ8V32MFCD11499090NS00035599
Show more names
2-hydroxy-3-amino-5-methylbenzenesulfonic acid
3-amino-2-hydroxy-5-methyl-benzenesulfonic acid5-AMINO-4-HYDROXYTOLUENE-3-SULFONIC ACID
Database identifiers
- CAS
6387-15-1- PubChem CID
- 80803
- DTXSID
DTXSID30213383- UNII
- G768CJ8V32
- EC Number
- 228-990-1
- Nikkaji
- J207.001D
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- FDA UNII
- 768 CJ8V32 · G768CJ8V32
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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