Thioglycine
Basic information
- CAS
758-10-1- Standard SMILES
NCC(=O)S- InChIKey
CYFJIBWZIQDUSZ-UHFFFAOYSA-N- Molecular formula
- C2H5NOS
- Average molar mass
- 91.13 g/mol
- Monoisotopic mass
- 91.00918496
Overview
Thioglycine is a monothiocarboxylic acid that is the thiolacid analogue of glycine. The parent of the class of thioglycines. It is a member of thioglycines and an organosulfur compound. It is functionally related to an ethanethioic S-acid.
Names & identifiers
- Preferred name
- Thioglycine
- IUPAC
- 2-aminoethanethioic S-acid
- English name
- Ethanethioic acid, amino- (9CI)
- Molecular formula
- C2H5NOS
- Molecular weight
- 91.13
Names & synonyms
thioglycineAminothioacetic acid2-aminoethanethioic S-acidTHIOGLYCIN1-thioglycineaminoethanethioic S-acidGlycine, thio-Amino-monothioessigsaeureEthanethioic acid, amino-alpha-Amino-thioessigsaeureJC58U6NVC2CHEBI:46799
Show more names
Ethanethioic acid, amino- (9CI)
DTXSID50335011RefChem:189534DTXCID00286100758-10-12-Aminoethanethioic O-acid2-Aminoethanethioic S-acid; Aminothioacetic acidGlycyl-[pcp]UNII-JC58U6NVC2
Database identifiers
- CAS
758-10-1- PubChem CID
- 522597
- DTXSID
DTXSID50335011- ChEMBL
CHEMBL1233056- ChEBI
CHEBI:46799- UNII
- JC58U6NVC2
- Nikkaji
- J1.245.578J
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 44.9
Physicochemical properties
- Melting point
- 154 °C · 154 °C
- Boiling point
- 179.8 · 179.8±23.0 °C(Predicted)
- Density
- 1.192 · 1.192±0.06 g/cm3(Predicted)
- pka
- 1.86 · 1.86±0.10(Predicted)
- FDA UNII
- 58 U6NVC2 · JC58U6NVC2
Chemistry & industry
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: Thioglycine is a monothiocarboxylic acid that is the thiolacid analogue of glycine. The parent of the class of thioglycines. It is an organosulfur compound and a member of thioglycines. It is functionally related to an ethanethioic S-acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…