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29677-65-4 | Glycine, N-[[(carboxymethyl)thio]thioxomethyl]-
CAS No: 29677-65-4 Catalog No: AG002Z31 MDL No:
Product Description
Catalog Number:
AG002Z31
Chemical Name:
Glycine, N-[[(carboxymethyl)thio]thioxomethyl]-
CAS Number:
29677-65-4
Molecular Formula:
C5H7NO4S2
Molecular Weight:
209.2434
IUPAC Name:
2-(carboxymethylsulfanylcarbothioylamino)acetic acid
InChI:
InChI=1S/C5H7NO4S2/c7-3(8)1-6-5(11)12-2-4(9)10/h1-2H2,(H,6,11)(H,7,8)(H,9,10)
InChI Key:
FKNJURNHJJFOFH-UHFFFAOYSA-N
SMILES:
OC(=O)CNC(=S)SCC(=O)O
NSC Number:
85654
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.982g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
209.234g/mol
Monoisotopic Mass:
208.982g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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