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149022-15-1

149022-15-1 | 2(3H)-Benzothiazolone, 3-methyl-, hydrazone, hydrochloride, hydrate (1:1:?)

CAS No: 149022-15-1 Catalog No: AG001LCS MDL No:MFCD00149370

Product Description

Catalog Number:
AG001LCS
Chemical Name:
2(3H)-Benzothiazolone, 3-methyl-, hydrazone, hydrochloride, hydrate (1:1:?)
CAS Number:
149022-15-1
Molecular Formula:
C8H12ClN3OS
Molecular Weight:
233.7184
MDL Number:
MFCD00149370
IUPAC Name:
(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrochloride
InChI:
InChI=1S/C8H9N3S.ClH/c1-11-6-4-2-3-5-7(6)12-8(11)10-9;/h2-5H,9H2,1H3;1H
InChI Key:
OEZPVSPULCMUQB-UHFFFAOYSA-N
SMILES:
NN=c1sc2c(n1C)cccc2.O.Cl

Properties

Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.028g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
215.699g/mol
Monoisotopic Mass:
215.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  

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