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90328-94-2 | Thieno[3,2-d]isoxazole, 3a,4,5,6a-tetrahydro-3-(2,4,6-trimethylphenyl)-
CAS No: 90328-94-2 Catalog No: AG006FMM MDL No:
Product Description
Catalog Number:
AG006FMM
Chemical Name:
Thieno[3,2-d]isoxazole, 3a,4,5,6a-tetrahydro-3-(2,4,6-trimethylphenyl)-
CAS Number:
90328-94-2
Molecular Formula:
C14H17NOS
Molecular Weight:
247.3559
IUPAC Name:
3-(2,4,6-trimethylphenyl)-3a,4,5,6a-tetrahydrothieno[3,2-d][1,2]oxazole
InChI:
InChI=1S/C14H17NOS/c1-8-6-9(2)12(10(3)7-8)13-11-4-5-17-14(11)16-15-13/h6-7,11,14H,4-5H2,1-3H3
InChI Key:
SEQWMHOZMLAUCT-UHFFFAOYSA-N
SMILES:
Cc1cc(C)cc(c1C1=NOC2C1CCS2)C
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.103g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.356g/mol
Monoisotopic Mass:
247.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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