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541539-55-3 | 2(3H)-Benzothiazolone,5-mercapto-(9CI)
CAS No: 541539-55-3 Catalog No: AG00DWI4 MDL No:
Product Description
Catalog Number:
AG00DWI4
Chemical Name:
2(3H)-Benzothiazolone,5-mercapto-(9CI)
CAS Number:
541539-55-3
IUPAC Name:
5-sulfanyl-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C7H5NOS2/c9-7-8-5-3-4(10)1-2-6(5)11-7/h1-3,10H,(H,8,9)
InChI Key:
DCGFLKXQJHEPNC-UHFFFAOYSA-N
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.981g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.243g/mol
Monoisotopic Mass:
182.981g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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