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21224-17-9

21224-17-9 | 2(3H)-Benzothiazolethione,6-ethyl-(9CI)

CAS No: 21224-17-9 Catalog No: AG00CB5I MDL No:

Product Description

Catalog Number:
AG00CB5I
Chemical Name:
2(3H)-Benzothiazolethione,6-ethyl-(9CI)
CAS Number:
21224-17-9
IUPAC Name:
6-ethyl-3H-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C9H9NS2/c1-2-6-3-4-7-8(5-6)12-9(11)10-7/h3-5H,2H2,1H3,(H,10,11)
InChI Key:
LEPCXHJXNAUYNN-UHFFFAOYSA-N

Properties

Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.018g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.298g/mol
Monoisotopic Mass:
195.018g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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