Basic information
- CAS
210354-23-7- Standard SMILES
CC(N)=NCCSCCC(N)C(=O)O- InChIKey
MOLOJNHYNHBPCW-UHFFFAOYSA-N- Molecular formula
- C8H17N3O2S
- Average molar mass
- 219.31 g/mol
- Monoisotopic mass
- 219.10414797
Names & identifiers
- Preferred name
- 2-amino-4-[2-(1-aminoethylideneamino)ethylsulfanyl]butanoic Acid
- IUPAC
- 2-amino-4-[2-(1-aminoethylideneamino)ethylsulfanyl]butanoic acid
Names & synonyms
2-amino-4-[2-(1-aminoethylideneamino)ethylsulfanyl]butanoic Acid(s)-2-amino-(1-iminoethylamino)-5-thioheptanoic acidSCHEMBL1690580210354-23-7
Database identifiers
- CAS
210354-23-7- PubChem CID
- 3533
Properties
Computed structural properties
- XLogP
- -3.3
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 209
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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