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S-Methyl Tiopronin

CAS No.:
87254-91-9
Catalog Number:
AG008ETV
Molecular Formula:
C6H11NO3S
Molecular Weight:
177.2214
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Product Description
Catalog Number:
AG008ETV
Chemical Name:
S-Methyl Tiopronin
CAS Number:
87254-91-9
Molecular Formula:
C6H11NO3S
Molecular Weight:
177.2214
MDL Number:
MFCD09952244
IUPAC Name:
2-(2-methylsulfanylpropanoylamino)acetic acid
InChI:
InChI=1S/C6H11NO3S/c1-4(11-2)6(10)7-3-5(8)9/h4H,3H2,1-2H3,(H,7,10)(H,8,9)
InChI Key:
MYXILMBGSNHKTB-UHFFFAOYSA-N
SMILES:
CC(C(=O)NCC(=O)O)SC
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.046g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
177.218g/mol
Monoisotopic Mass:
177.046g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Literature
Title Journal
Collateral sensitivity of multidrug-resistant cells to the orphan drug tiopronin. Journal of medicinal chemistry 20110728
Properties