Basic information
- CAS
13614-25-0- Standard SMILES
Cc1ncsc1CCCCCl.O=S(=O)(O)CCS(=O)(=O)O- InChIKey
UDOGWZHUIVOFRL-UHFFFAOYSA-N- Molecular formula
- C10H18ClNO6S3
- Average molar mass
- 379.9 g/mol
- Monoisotopic mass
- 378.9984785
Names & identifiers
- Preferred name
- Thiazole, 5-(4-chlorobutyl)-4-methyl-, 1,2-ethanedisulfonate
- IUPAC
- 5-(4-chlorobutyl)-4-methyl-1,3-thiazole;ethane-1,2-disulfonic acid
Names & synonyms
Thiazole, 5-(4-chlorobutyl)-4-methyl-, 1,2-ethanedisulfonateEthanedisulfonate-1,2 de methyl-4 delta-chlorobutyl-5 thiazole [French]5-(4-Chlorobutyl)-4-methylthiazole 1,2-ethanedisulfonate13614-25-0DTXSID10159694Ethanedisulfonate-1,2 de methyl-4 delta-chlorobutyl-5 thiazoleRefChem:384591DTXCID2082185Ethane-1,2-disulfonic acid--5-(4-chlorobutyl)-4-methyl-1,3-thiazole (1/1)
Database identifiers
- CAS
13614-25-0- PubChem CID
- 202986
- DTXSID
DTXSID10159694
Properties
Computed structural properties
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…