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41814-52-2 | 2(3H)-Benzothiazolone,4,5-dimethyl-,hydrazone(9CI)
CAS No: 41814-52-2 Catalog No: AG00C7BS MDL No:MFCD17178492
Product Description
Catalog Number:
AG00C7BS
Chemical Name:
2(3H)-Benzothiazolone,4,5-dimethyl-,hydrazone(9CI)
CAS Number:
41814-52-2
Molecular Formula:
C9H11N3S
Molecular Weight:
193.2687
MDL Number:
MFCD17178492
IUPAC Name:
(4,5-dimethyl-1,3-benzothiazol-2-yl)hydrazine
InChI:
InChI=1S/C9H11N3S/c1-5-3-4-7-8(6(5)2)11-9(12-10)13-7/h3-4H,10H2,1-2H3,(H,11,12)
InChI Key:
MQWWXUWDOBGVOZ-UHFFFAOYSA-N
SMILES:
NNc1sc2c(n1)c(C)c(cc2)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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