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69528-56-9 | 1,2-Benzisoxazole-3(2H)-thione
CAS No: 69528-56-9 Catalog No: AG006BJT MDL No:
Product Description
Catalog Number:
AG006BJT
Chemical Name:
1,2-Benzisoxazole-3(2H)-thione
CAS Number:
69528-56-9
Molecular Formula:
C7H5NOS
Molecular Weight:
151.1857
IUPAC Name:
1,2-benzoxazole-3-thione
InChI:
InChI=1S/C7H5NOS/c10-7-5-3-1-2-4-6(5)9-8-7/h1-4H,(H,8,10)
InChI Key:
VZDBJMCLRLLCTG-UHFFFAOYSA-N
SMILES:
S=c1[nH]oc2c1cccc2
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.009g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.183g/mol
Monoisotopic Mass:
151.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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