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208458-73-5 | Benzothiazole, 4-ethenyl-5-isothiocyanato- (9CI)
CAS No: 208458-73-5 Catalog No: AG00BLLU MDL No:
Product Description
Catalog Number:
AG00BLLU
Chemical Name:
Benzothiazole, 4-ethenyl-5-isothiocyanato- (9CI)
CAS Number:
208458-73-5
IUPAC Name:
4-ethenyl-5-isothiocyanato-1,3-benzothiazole
InChI:
InChI=1S/C10H6N2S2/c1-2-7-8(11-5-13)3-4-9-10(7)12-6-14-9/h2-4,6H,1H2
InChI Key:
VRWWZJZYFHYLIJ-UHFFFAOYSA-N
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.997g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.292g/mol
Monoisotopic Mass:
217.997g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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