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90418-62-5 | Thiocyanic acid, (5-hydroxy-2-benzothiazolyl)methyl ester (7CI)
CAS No: 90418-62-5 Catalog No: AG00H0OC MDL No:
Product Description
Catalog Number:
AG00H0OC
Chemical Name:
Thiocyanic acid, (5-hydroxy-2-benzothiazolyl)methyl ester (7CI)
CAS Number:
90418-62-5
IUPAC Name:
(5-hydroxy-1,3-benzothiazol-2-yl)methyl thiocyanate
InChI:
InChI=1S/C9H6N2OS2/c10-5-13-4-9-11-7-3-6(12)1-2-8(7)14-9/h1-3,12H,4H2
InChI Key:
AELRCMOKRQCWMR-UHFFFAOYSA-N
Properties
Complexity:
252
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:
1
Isotope Atom Count:
0
Molecular Weight:
222.28g/mol
Monoisotopic Mass:
221.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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