Amino(1,3-dithiolan-2-yl)acetic acid
Basic information
- CAS
20622-36-0- Standard SMILES
NC(C(=O)O)C1SCCS1- InChIKey
MQUMNKDULYGRPJ-UHFFFAOYSA-N- Molecular formula
- C5H9NO2S2
- Average molar mass
- 179.3 g/mol
- Monoisotopic mass
- 179.00747088
Names & identifiers
- Preferred name
- Amino(1,3-dithiolan-2-yl)acetic acid
- IUPAC
- 2-amino-2-(1,3-dithiolan-2-yl)acetic acid
Names & synonyms
20622-36-02-amino-2-(1,3-dithiolan-2-yl)acetic acidamino(1,3-dithiolan-2-yl)acetic acidNSC108031DTXSID10296154NSC-108031133736-91-1
Database identifiers
- CAS
20622-36-0- PubChem CID
- 268016
- DTXSID
DTXSID10296154
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 136
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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