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89227-89-4 | 2(3H)-Benzoxazolethione, 3,5,7-trimethyl-
CAS No: 89227-89-4 Catalog No: AG0043G0 MDL No:
Product Description
Catalog Number:
AG0043G0
Chemical Name:
2(3H)-Benzoxazolethione, 3,5,7-trimethyl-
CAS Number:
89227-89-4
Molecular Formula:
C10H11NOS
Molecular Weight:
193.2654
IUPAC Name:
3,5,7-trimethyl-1,3-benzoxazole-2-thione
InChI:
InChI=1S/C10H11NOS/c1-6-4-7(2)9-8(5-6)11(3)10(13)12-9/h4-5H,1-3H3
InChI Key:
AKZMBBQVFWVDOE-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(c1)n(C)c(=S)o2
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.264g/mol
Monoisotopic Mass:
193.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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