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139623-31-7 | Oxazole, 4,5-dihydro-4,4-dimethyl-2-[[(phenylmethyl)thio]methyl]-
CAS No: 139623-31-7 Catalog No: AG001BE1 MDL No:
Product Description
Catalog Number:
AG001BE1
Chemical Name:
Oxazole, 4,5-dihydro-4,4-dimethyl-2-[[(phenylmethyl)thio]methyl]-
CAS Number:
139623-31-7
Molecular Formula:
C13H17NOS
Molecular Weight:
235.3452
IUPAC Name:
2-(benzylsulfanylmethyl)-4,4-dimethyl-5H-1,3-oxazole
InChI:
InChI=1S/C13H17NOS/c1-13(2)10-15-12(14-13)9-16-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChI Key:
NZCZYENDTQTTGO-UHFFFAOYSA-N
SMILES:
CC1(C)COC(=N1)CSCc1ccccc1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.103g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.345g/mol
Monoisotopic Mass:
235.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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