TL;DR: Propanoic acid, 3-amino-2-[(aminoiminomethyl)thio]-, hydrobromide (1:2) (CAS 102274-25-9) is a chemical compound with molecular formula C4H11Br2N3O2S and molecular weight 322.89386 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-2-methanehydrazonoylsulfanylpropanoic acid;dihydrobromide
Also Known As: S-(1-Carboxy-2-aminoethyl)isothiourea dihydrobromide, 3-Amino-2-((aminoiminomethyl)thio)propanoic acid dihydrobromide, Propanoic acid,3-amino-2-[(aminoiminomethyl)thio]-, hydrobromide (1:2), Propanoic acid, 3-amino-2-((aminoiminomethyl)thio)-, dihydrobromide, Propanoic acid, 3-amino-2-[(aminoiminomethyl)thio]-, hydrobromide (1:2)
| Molecular Formula | C4H11Br2N3O2S |
| Molecular Weight | 322.89386 g/mol |
| XLogP | 0.1893 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.89386 Da |
| Heavy Atoms | 12 |
| Complexity | 138.0 |
| SMILES | C(C(C(=O)O)SC=NN)N.Br.Br |
| InChIKey | VKEXVZHUBDFXOP-UHFFFAOYSA-N |
The XLogP value of 0.1893 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 3-amino-2-[(aminoiminomethyl)thio]-, hydrobromide (1:2). The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanoic acid, 3-amino-2-[(aminoiminomethyl)thio]-, hydrobromide (1:2). Following Lipinski's Rule of Five, Propanoic acid, 3-amino-2-[(aminoiminomethyl)thio]-, hydrobromide (1:2) has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Propanoic acid, 3-amino-2-[(aminoiminomethyl)thio]-, hydrobromide (1:2) is 102274-25-9.
The molecular formula of Propanoic acid, 3-amino-2-[(aminoiminomethyl)thio]-, hydrobromide (1:2) is C4H11Br2N3O2S.
The molecular weight of Propanoic acid, 3-amino-2-[(aminoiminomethyl)thio]-, hydrobromide (1:2) is 322.89386 g/mol.
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