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19201-39-9

19201-39-9 | Ethanethioamide, 2-(6-methoxy-3-methyl-2(3H)-benzothiazolylidene)-N-phenyl-

CAS No: 19201-39-9 Catalog No: AG002FKY MDL No:

Product Description

Catalog Number:
AG002FKY
Chemical Name:
Ethanethioamide, 2-(6-methoxy-3-methyl-2(3H)-benzothiazolylidene)-N-phenyl-
CAS Number:
19201-39-9
Molecular Formula:
C17H16N2OS2
Molecular Weight:
328.4517
IUPAC Name:
2-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-N-phenylethanethioamide
InChI:
InChI=1S/C17H16N2OS2/c1-19-14-9-8-13(20-2)10-15(14)22-17(19)11-16(21)18-12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,21)
InChI Key:
DOWNCJYKXRRKRN-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)sc(=CC(=S)Nc1ccccc1)n2C
EC Number:
242-876-9

Properties

Complexity:
434  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.07g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
328.448g/mol
Monoisotopic Mass:
328.07g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.9  

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