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16907-58-7 | Acetic acid, 2,2'-[2-(aminothioxomethyl)hydrazinylidene]bis-
CAS No: 16907-58-7 Catalog No: AG001YH4 MDL No:
Product Description
Catalog Number:
AG001YH4
Chemical Name:
Acetic acid, 2,2'-[2-(aminothioxomethyl)hydrazinylidene]bis-
CAS Number:
16907-58-7
Molecular Formula:
C5H9N3O4S
Molecular Weight:
207.2077
IUPAC Name:
2-[(carbamothioylamino)-(carboxymethyl)amino]acetic acid
InChI:
InChI=1S/C5H9N3O4S/c6-5(13)7-8(1-3(9)10)2-4(11)12/h1-2H2,(H,9,10)(H,11,12)(H3,6,7,13)
InChI Key:
NYYRYVYUQSPOHM-UHFFFAOYSA-N
SMILES:
OC(=O)CN(NC(=S)N)CC(=O)O
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
207.204g/mol
Monoisotopic Mass:
207.031g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.3
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