Basic information
- CAS
16708-09-1- Standard SMILES
CC1(C(=O)O)NC(C(=O)O)CS1- InChIKey
JCAKCGQZNBEITC-UHFFFAOYSA-N- Molecular formula
- C6H9NO4S
- Average molar mass
- 191.21 g/mol
- Monoisotopic mass
- 191.02522877
Overview
prodrug of L-cysteine; formed from cysteine & pyruvate by rat liver; structure
Names & identifiers
- Preferred name
- 2-Methyl-2,4-thiazolidinedicarboxylic acid
- IUPAC
- 2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid
- English name
- 2-methyl-2,4-thiazolidine dicarboxylate
- Molecular formula
- C6H9NO4S
- Molecular weight
- 191.21
Names & synonyms
16708-09-12,4-Thiazolidinedicarboxylic acid, 2-methyl-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acidHCF3F52B8G2-Methyl-2,4-thiazolidine dicarboxylate2-methylthiazolidine-2,4-dicarboxylic acid2-Methyl-2,4-thiazolidinedicarboxylic acidNSC-108912DTXSID70937273RefChem:474797DTXCID20837390605-463-8
Show more names
NSC108912NSC 1089122,4-Thiazolidinedicarboxylicacid, 2-methyl-2-methyl-thiazolidine-2,4-dicarboxylic acidAcetylcysteine impurity 66UNII-HCF3F52B8GSCHEMBL811864JCAKCGQZNBEITC-UHFFFAOYSA-N
Database identifiers
- CAS
16708-09-1- PubChem CID
- 98342
- DTXSID
DTXSID70937273- UNII
- HCF3F52B8G
- EC Number
- 605-463-8
- Nikkaji
- J565.320G
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- FDA UNII
- 3 F52B8G · HCF3F52B8G
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
3 records
Compound notes
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