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562826-61-3 | 5-Benzothiazolol,2-(methylthio)-(9CI)
CAS No: 562826-61-3 Catalog No: AG00DJB1 MDL No:
Product Description
Catalog Number:
AG00DJB1
Chemical Name:
5-Benzothiazolol,2-(methylthio)-(9CI)
CAS Number:
562826-61-3
IUPAC Name:
2-methylsulfanyl-1,3-benzothiazol-5-ol
InChI:
InChI=1S/C8H7NOS2/c1-11-8-9-6-4-5(10)2-3-7(6)12-8/h2-4,10H,1H3
InChI Key:
PSFJZLDNNULBCX-UHFFFAOYSA-N
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.997g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.27g/mol
Monoisotopic Mass:
196.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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