TL;DR: 2-amino-4-[2-(1-aminoethylideneamino)ethylsulfanyl]butanoic Acid (CAS 210354-22-6) is a chemical compound with molecular formula C8H17N3O2S and molecular weight 219.10414 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-4-[2-(1-aminoethylideneamino)ethylsulfanyl]butanoic acid
Also Known As: L-Homocysteine, S-(2-((1-iminoethyl)amino)ethyl)-, (s)-2-amino-(1-iminoethylamino)-5-thioheptanoic acid, 2-amino-4-[2-(1-aminoethylideneamino)ethylsulfanyl]butanoic Acid, (2S)-2-amino-4-[2-(1-aminoethylideneamino)ethylsulfanyl]butanoic acid
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H17N3O2S |
| Molecular Weight | 219.10414 g/mol |
| XLogP | -3.3 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 219.10414 Da |
| Heavy Atoms | 14 |
| Complexity | 209.0 |
| SMILES | CC(=NCCSCCC(C(=O)O)N)N |
| InChIKey | MOLOJNHYNHBPCW-UHFFFAOYSA-N |
The XLogP value of -3.3 indicates that 2-amino-4-[2-(1-aminoethylideneamino)ethylsulfanyl]butanoic Acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4-[2-(1-aminoethylideneamino)ethylsulfanyl]butanoic Acid. Following Lipinski's Rule of Five, 2-amino-4-[2-(1-aminoethylideneamino)ethylsulfanyl]butanoic Acid has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-amino-4-[2-(1-aminoethylideneamino)ethylsulfanyl]butanoic Acid is 210354-22-6.
The molecular formula of 2-amino-4-[2-(1-aminoethylideneamino)ethylsulfanyl]butanoic Acid is C8H17N3O2S.
The molecular weight of 2-amino-4-[2-(1-aminoethylideneamino)ethylsulfanyl]butanoic Acid is 219.10414 g/mol.
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