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94043-70-6 | 2H-Thiocino[4,5-d]isoxazole(9CI)
CAS No: 94043-70-6 Catalog No: AG006950 MDL No:
Product Description
Catalog Number:
AG006950
Chemical Name:
2H-Thiocino[4,5-d]isoxazole(9CI)
CAS Number:
94043-70-6
Molecular Formula:
C8H7NOS
Molecular Weight:
165.2123
IUPAC Name:
2H-thiocino[4,5-d][1,2]oxazole
InChI:
InChI=1S/C8H7NOS/c1-2-8-7(6-9-10-8)3-5-11-4-1/h1-6,9H
InChI Key:
RVMWPDWTMRCZFR-UHFFFAOYSA-N
SMILES:
s1cccc2c(cc1)c[nH]o2
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.025g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.21g/mol
Monoisotopic Mass:
165.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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