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130366-23-3 | 3(2H)-Benzothiazoleacetic acid, 2-imino-, hydrazide, hydrochloride (1:2)
CAS No: 130366-23-3 Catalog No: AG000UBN MDL No:
Product Description
Catalog Number:
AG000UBN
Chemical Name:
3(2H)-Benzothiazoleacetic acid, 2-imino-, hydrazide, hydrochloride (1:2)
CAS Number:
130366-23-3
Molecular Formula:
C9H12Cl2N4OS
Molecular Weight:
295.1888
IUPAC Name:
2-(2-imino-1,3-benzothiazol-3-yl)acetohydrazide;dihydrochloride
InChI:
InChI=1S/C9H10N4OS.2ClH/c10-9-13(5-8(14)12-11)6-3-1-2-4-7(6)15-9;;/h1-4,10H,5,11H2,(H,12,14);2*1H
InChI Key:
WVDVHLYURKXYDA-UHFFFAOYSA-N
SMILES:
NNC(=O)Cn1c(=N)sc2c1cccc2.Cl.Cl
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.011g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
295.182g/mol
Monoisotopic Mass:
294.011g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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