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87707-59-3 | 2(3H)-Benzoxazolethione, 3-[(2,4-dimethoxyphenyl)methyl]-
CAS No: 87707-59-3 Catalog No: AG004GI1 MDL No:
Product Description
Catalog Number:
AG004GI1
Chemical Name:
2(3H)-Benzoxazolethione, 3-[(2,4-dimethoxyphenyl)methyl]-
CAS Number:
87707-59-3
Molecular Formula:
C16H15NO3S
Molecular Weight:
301.3602
IUPAC Name:
3-[(2,4-dimethoxyphenyl)methyl]-1,3-benzoxazole-2-thione
InChI:
InChI=1S/C16H15NO3S/c1-18-12-8-7-11(15(9-12)19-2)10-17-13-5-3-4-6-14(13)20-16(17)21/h3-9H,10H2,1-2H3
InChI Key:
YQORDBHSYFHMSS-UHFFFAOYSA-N
SMILES:
COc1cc(OC)ccc1Cn1c(=S)oc2c1cccc2
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.077g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.36g/mol
Monoisotopic Mass:
301.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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