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53065-22-8 | 2(3H)-Benzothiazolone,5,6-dimethyl-,hydrazone(9CI)
CAS No: 53065-22-8 Catalog No: AG00DWJB MDL No:MFCD17178523
Product Description
Catalog Number:
AG00DWJB
Chemical Name:
2(3H)-Benzothiazolone,5,6-dimethyl-,hydrazone(9CI)
CAS Number:
53065-22-8
Molecular Formula:
C9H11N3S
Molecular Weight:
193.2687
MDL Number:
MFCD17178523
IUPAC Name:
(5,6-dimethyl-1,3-benzothiazol-2-yl)hydrazine
InChI:
InChI=1S/C9H11N3S/c1-5-3-7-8(4-6(5)2)13-9(11-7)12-10/h3-4H,10H2,1-2H3,(H,11,12)
InChI Key:
QNPPOSLNDDRPTR-UHFFFAOYSA-N
SMILES:
NNc1sc2c(n1)cc(c(c2)C)C
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.067g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.268g/mol
Monoisotopic Mass:
193.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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