TL;DR: L-Homocysteine, S-(1,2-dichloroethenyl)- (CAS 106400-44-6) is a chemical compound with molecular formula C6H9Cl2NO2S and molecular weight 228.9731 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-amino-4-[(Z)-1,2-dichloroethenyl]sulfanylbutanoic acid
Also Known As: S-(1,2-Dichlorovinyl)-L-homocysteine, DCVHC, L-Homocysteine, S-(1,2-dichloroethenyl)-, Butyric acid, 2-amino-4-((1,2-dichlorovinyl)thio)-, (2S)-2-amino-4-[(Z)-1,2-dichloroethenyl]sulfanylbutanoic acid
| Molecular Formula | C6H9Cl2NO2S |
| Molecular Weight | 228.9731 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 88.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.9731 Da |
| Heavy Atoms | 12 |
| Complexity | 186.0 |
| SMILES | C(CS/C(=C/Cl)/Cl)[C@@H](C(=O)O)N |
| InChIKey | FLDHIRRXGKLJDM-MXFQXMHVSA-N |
The XLogP value of -0.3 indicates that L-Homocysteine, S-(1,2-dichloroethenyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for L-Homocysteine, S-(1,2-dichloroethenyl)-. Following Lipinski's Rule of Five, L-Homocysteine, S-(1,2-dichloroethenyl)- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of L-Homocysteine, S-(1,2-dichloroethenyl)- is 106400-44-6.
The molecular formula of L-Homocysteine, S-(1,2-dichloroethenyl)- is C6H9Cl2NO2S.
The molecular weight of L-Homocysteine, S-(1,2-dichloroethenyl)- is 228.9731 g/mol.
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