Basic information
- Standard SMILES
Cc1ccnc(S(=O)(=O)O)c1- InChIKey
CPONZDBBPJRDSU-UHFFFAOYSA-N- Molecular formula
- C6H7NO3S
- Average molar mass
- 173.19 g/mol
- Monoisotopic mass
- 173.01466426
Names & identifiers
- Preferred name
- 4-methylpyridine-2-sulfonic Acid
- IUPAC
- 4-methylpyridine-2-sulfonic acid
- English name
- 4-Methylpyridine-2-sulfonic acid
- Molecular formula
- C6H7NO3S
- Molecular weight
- 173.19
Names & synonyms
4-methylpyridine-2-sulfonic Acid18616-04-1SCHEMBL8434248DTXSID80376492CPONZDBBPJRDSU-UHFFFAOYSA-NAKOS006295675DB-0812924-Methyl-2-pyridinesulfonic acid, AldrichCPR-METHYLPYRIDINE-2-SULFONIC ACID4-Methyl-2-pyridinesulfonic acid2-Pyridinesulfonic acid, 4-methyl-
Database identifiers
- CAS
18616-04-1- PubChem CID
- 2762831
- DTXSID
DTXSID80376492- Nikkaji
- J690.602H
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Density
- 1.422 · 1.422
- pka
- -2.85 · -2.85±0.33(Predicted)
Chemistry & industry
Suppliers5 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Related reactions
1 records
Linked notes
Loading…