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Home Other Building Blocks 2-(Carbamimidoylthio)acetic acid hydrochloride

2-(Carbamimidoylthio)acetic acid hydrochloride

CAS No.:
5425-78-5
Catalog Number:
AG019FSQ
Molecular Formula:
C3H7ClN2O2S
Molecular Weight:
170.6179
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Product Description
Catalog Number:
AG019FSQ
Chemical Name:
2-(Carbamimidoylthio)acetic acid hydrochloride
CAS Number:
5425-78-5
Molecular Formula:
C3H7ClN2O2S
Molecular Weight:
170.6179
MDL Number:
MFCD00525989
IUPAC Name:
2-carbamimidoylsulfanylacetic acid;hydrochloride
InChI:
InChI=1S/C3H6N2O2S.ClH/c4-3(5)8-1-2(6)7;/h1H2,(H3,4,5)(H,6,7);1H
InChI Key:
DZLYRGFLNXMMIT-UHFFFAOYSA-N
SMILES:
OC(=O)CSC(=N)N.Cl
NSC Number:
13889
Properties
Complexity:
114  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.992g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
170.611g/mol
Monoisotopic Mass:
169.992g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Synthesis and biological activity of analogues of the antidiabetic/antiobesity agent 3-guanidinopropionic acid: discovery of a novel aminoguanidinoacetic acid antidiabetic agent. Journal of medicinal chemistry 20010412
Properties