3-[(Aminoiminomethyl)thio]-2-chloro-propanoic Acid Hydrochloride - CAS 54598-78-6
Catalog: |
BB074741 |
Product Name: |
3-[(Aminoiminomethyl)thio]-2-chloro-propanoic Acid Hydrochloride |
CAS: |
54598-78-6 |
Synonyms: |
3-[(Aminoiminomethyl)thio]-2-chloro-propanoic Acid Hydrochloride; 3-carbamimidoylsulfanyl-2-chloropropanoic acid; hydrochloride; 3-(carbamimidoylthio)-2-chloropropanoic acid hydrochloride |
IUPAC Name: | 3-carbamimidoylsulfanyl-2-chloropropanoic acidhydrochloride |
Description: | 3-[(Aminoiminomethyl)thio]-2-chloro-propanoic Acid Hydrochloride (cas# 54598-78-6) is a compound useful in organic synthesis. |
Molecular Weight: | 219.09 |
Molecular Formula: | C4H8Cl2N2O2S |
Canonical SMILES: | C(C(C(=O)O)Cl)SC(=N)N.Cl |
InChI: | InChI=1S/C4H7ClN2O2S.ClH/c5-2(3(8)9)1-10-4(6)7/h2H,1H2,(H3,6,7)(H,8,9)1H |
InChI Key: | WHSGRJMDFWVKSS-UHFFFAOYSA-N |
Complexity: | 152 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.9683541 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.9683541 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 113Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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