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64126-88-1 | Ethanethial, 2(3H)-benzothiazolylidene- (9CI)
CAS No: 64126-88-1 Catalog No: AG00EI1Y MDL No:
Product Description
Catalog Number:
AG00EI1Y
Chemical Name:
Ethanethial, 2(3H)-benzothiazolylidene- (9CI)
CAS Number:
64126-88-1
IUPAC Name:
(2E)-2-(2,3-dihydro-1,3-benzothiazol-1-ylidene)ethanethial
InChI:
InChI=1S/C9H9NS2/c11-5-6-12-7-10-8-3-1-2-4-9(8)12/h1-6,10H,7H2
InChI Key:
VFAJOLOEWAEPJM-UHFFFAOYSA-N
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
195.018g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
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:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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