2-Hydroxy-6-methylbenzenesulfonic acid

HCID 3016392
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Basic information

CAS
69103-65-7
Standard SMILES
Cc1cccc(O)c1S(=O)(=O)O
InChIKey
ODLIHNXQTJXBDT-UHFFFAOYSA-N
Molecular formula
C7H8O4S
Average molar mass
188.2 g/mol
Monoisotopic mass
188.01432974

Names & identifiers

Preferred name
2-Hydroxy-6-methylbenzenesulfonic acid
IUPAC
2-hydroxy-6-methylbenzenesulfonic acid
English name
2-Hydroxy-6-methylbenzenesulfonic acid
Molecular formula
C7H8O4S
Molecular weight
188.2

Names & synonyms

69103-65-72-hydroxy-6-methylbenzenesulfonic acidMetacresol-2-sulfonic acidBenzenesulfonic acid, 2-hydroxy-6-methyl-UNII-Q16EQ83BQDQ16EQ83BQDDTXSID00388491RefChem:87465DTXCID103394992-hydroxy-6-methyl-Benzenesulfonic acid2-hydroxy-6-methylbenzene-1-sulfonic acidm-Kresolsulfonsaure
Show more names
m-Cresol-2-sulfonic acid6-Methyl-2-hydroxybenzenesulfonic acid
m-cresolsulfonic acidSCHEMBL563387SCHEMBL8528878AKOS0158893442-hydroxy-6-methyl-BenzenesulfonicacidDB-074121EN300-1091641Q27286877

Database identifiers

CAS
69103-65-7
PubChem CID
3016392
DTXSID
DTXSID00388491
UNII
Q16EQ83BQD
Nikkaji
J163.811D

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
83 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
12

Physicochemical properties

Density
1.482 · 1.482±0.06 g/cm3(Predicted)
pka
-0.53 · -0.53±0.30(Predicted)
FDA UNII
16 EQ83BQD · Q16EQ83BQD

Chemistry & industry

Suppliers16 total

济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
武汉卡诺斯科技有限公司153-37111468 15337111468 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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