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88882-30-8 | 2(3H)-Benzoxazolethione, 5-methoxy-3-methyl-
CAS No: 88882-30-8 Catalog No: AG0049XM MDL No:
Product Description
Catalog Number:
AG0049XM
Chemical Name:
2(3H)-Benzoxazolethione, 5-methoxy-3-methyl-
CAS Number:
88882-30-8
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
IUPAC Name:
5-methoxy-3-methyl-1,3-benzoxazole-2-thione
InChI:
InChI=1S/C9H9NO2S/c1-10-7-5-6(11-2)3-4-8(7)12-9(10)13/h3-5H,1-2H3
InChI Key:
KCXFNOBCGKYETP-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)n(C)c(=S)o2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.236g/mol
Monoisotopic Mass:
195.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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