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42222-49-1 | Benzothiazole, 6-hydrazino-2-methyl- (9CI)
CAS No: 42222-49-1 Catalog No: AG00CPCZ MDL No:MFCD09971170
Product Description
Catalog Number:
AG00CPCZ
Chemical Name:
Benzothiazole, 6-hydrazino-2-methyl- (9CI)
CAS Number:
42222-49-1
Molecular Formula:
C8H9N3S
Molecular Weight:
179.2422
MDL Number:
MFCD09971170
IUPAC Name:
(2-methyl-1,3-benzothiazol-6-yl)hydrazine
InChI:
InChI=1S/C8H9N3S/c1-5-10-7-3-2-6(11-9)4-8(7)12-5/h2-4,11H,9H2,1H3
InChI Key:
MWCLWAXPDLPJEU-UHFFFAOYSA-N
SMILES:
NNc1ccc2c(c1)sc(n2)C
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.052g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.241g/mol
Monoisotopic Mass:
179.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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