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306955-38-4 | 4(5H)-Oxazolethione, 2-(4-methoxyphenyl)-5,5-dimethyl-
CAS No: 306955-38-4 Catalog No: AG0030YX MDL No:
Product Description
Catalog Number:
AG0030YX
Chemical Name:
4(5H)-Oxazolethione, 2-(4-methoxyphenyl)-5,5-dimethyl-
CAS Number:
306955-38-4
Molecular Formula:
C12H13NO2S
Molecular Weight:
235.3021
IUPAC Name:
2-(4-methoxyphenyl)-5,5-dimethyl-1,3-oxazole-4-thione
InChI:
InChI=1S/C12H13NO2S/c1-12(2)11(16)13-10(15-12)8-4-6-9(14-3)7-5-8/h4-7H,1-3H3
InChI Key:
GMNZJRCSCPMLSB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1=NC(=S)C(O1)(C)C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.301g/mol
Monoisotopic Mass:
235.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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