3-(5-Sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)alanine
Basic information
- CAS
89765-41-3- Standard SMILES
NC(Cc1n[nH]c(=S)s1)C(=O)O- InChIKey
DLFBJYIZKVSRAA-UHFFFAOYSA-N- Molecular formula
- C5H7N3O2S2
- Average molar mass
- 205.3 g/mol
- Monoisotopic mass
- 204.99796882
Names & identifiers
- Preferred name
- 3-(5-Sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)alanine
- IUPAC
- 2-amino-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)propanoic acid
Names & synonyms
SCHEMBL10404457SCHEMBL10404458DTXSID7011764073-(5-Sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)alanineI+/--Amino-4,5-dihydro-5-thioxo-1,3,4-thiadiazole-2-propanoic acid89765-41-3
Database identifiers
- CAS
89765-41-3- PubChem CID
- 13390331
- DTXSID
DTXSID701176407
Properties
Computed structural properties
- XLogP
- -2.7
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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