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2786-70-1

2786-70-1 | Benzothiazole, 2,3-dihydro-3-methyl-2-(3-methyl-2(3H)-benzothiazolylidene)-

CAS No: 2786-70-1 Catalog No: AG002UYR MDL No:

Product Description

Catalog Number:
AG002UYR
Chemical Name:
Benzothiazole, 2,3-dihydro-3-methyl-2-(3-methyl-2(3H)-benzothiazolylidene)-
CAS Number:
2786-70-1
Molecular Formula:
C16H14N2S2
Molecular Weight:
298.4258
IUPAC Name:
3-methyl-2-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole
InChI:
InChI=1S/C16H14N2S2/c1-17-11-7-3-5-9-13(11)19-15(17)16-18(2)12-8-4-6-10-14(12)20-16/h3-10H,1-2H3
InChI Key:
JEEADTZIVQECKP-UHFFFAOYSA-N
SMILES:
Cn1c2ccccc2sc1=c1sc2c(n1C)cccc2
EC Number:
220-507-2

Properties

Complexity:
385  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.06g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.422g/mol
Monoisotopic Mass:
298.06g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
4.6  

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