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102274-25-9 | Propanoic acid, 3-amino-2-[(aminoiminomethyl)thio]-, hydrobromide (1:2)
CAS No: 102274-25-9 Catalog No: AG00072Q MDL No:
Product Description
Catalog Number:
AG00072Q
Chemical Name:
Propanoic acid, 3-amino-2-[(aminoiminomethyl)thio]-, hydrobromide (1:2)
CAS Number:
102274-25-9
Molecular Formula:
C4H11Br2N3O2S
Molecular Weight:
325.0220
IUPAC Name:
3-amino-2-methanehydrazonoylsulfanylpropanoic acid;dihydrobromide
InChI:
InChI=1S/C4H9N3O2S.2BrH/c5-1-3(4(8)9)10-2-7-6;;/h2-3H,1,5-6H2,(H,8,9);2*1H
InChI Key:
VKEXVZHUBDFXOP-UHFFFAOYSA-N
SMILES:
NN=CSC(C(=O)O)CN.Br.Br
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.892g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
325.019g/mol
Monoisotopic Mass:
322.894g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
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