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119342-49-3 | Glycine, N,N'-carbonothioylbis[N-methyl-
CAS No: 119342-49-3 Catalog No: AG000IN0 MDL No:
Product Description
Catalog Number:
AG000IN0
Chemical Name:
Glycine, N,N'-carbonothioylbis[N-methyl-
CAS Number:
119342-49-3
Molecular Formula:
C7H12N2O4S
Molecular Weight:
220.2462
IUPAC Name:
2-[[carboxymethyl(methyl)carbamothioyl]-methylamino]acetic acid
InChI:
InChI=1S/C7H12N2O4S/c1-8(3-5(10)11)7(14)9(2)4-6(12)13/h3-4H2,1-2H3,(H,10,11)(H,12,13)
InChI Key:
NLSMNTONIKQCCK-UHFFFAOYSA-N
SMILES:
CN(C(=S)N(CC(=O)O)C)CC(=O)O
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.052g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.243g/mol
Monoisotopic Mass:
220.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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