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208458-63-3 | Benzothiazole, 5-isothiocyanato-4-methoxy- (9CI)
CAS No: 208458-63-3 Catalog No: AG00BLJK MDL No:
Product Description
Catalog Number:
AG00BLJK
Chemical Name:
Benzothiazole, 5-isothiocyanato-4-methoxy- (9CI)
CAS Number:
208458-63-3
IUPAC Name:
5-isothiocyanato-4-methoxy-1,3-benzothiazole
InChI:
InChI=1S/C9H6N2OS2/c1-12-9-6(10-4-13)2-3-7-8(9)11-5-14-7/h2-3,5H,1H3
InChI Key:
GZUPOWBAWQTSTF-UHFFFAOYSA-N
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.992g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.28g/mol
Monoisotopic Mass:
221.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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