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113656-14-7 | 2(3H)-Thiazolethione, 3-(benzoyloxy)-4-methyl-
CAS No: 113656-14-7 Catalog No: AG000986 MDL No:
Product Description
Catalog Number:
AG000986
Chemical Name:
2(3H)-Thiazolethione, 3-(benzoyloxy)-4-methyl-
CAS Number:
113656-14-7
Molecular Formula:
C11H9NO2S2
Molecular Weight:
251.3247
IUPAC Name:
(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl) benzoate
InChI:
InChI=1S/C11H9NO2S2/c1-8-7-16-11(15)12(8)14-10(13)9-5-3-2-4-6-9/h2-7H,1H3
InChI Key:
YNPVVUQIUPGDQC-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)On1c(C)csc1=S
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.007g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.318g/mol
Monoisotopic Mass:
251.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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