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40086-09-7 | 3-Octyl-2-thioxo-1,3-thiazolidin-4-one
CAS No: 40086-09-7 Catalog No: AG01EAG0 MDL No:
Product Description
Catalog Number:
AG01EAG0
Chemical Name:
3-Octyl-2-thioxo-1,3-thiazolidin-4-one
CAS Number:
40086-09-7
IUPAC Name:
3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C11H19NOS2/c1-2-3-4-5-6-7-8-12-10(13)9-15-11(12)14/h2-9H2,1H3
InChI Key:
GAPXBQVOJNAKKG-UHFFFAOYSA-N
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.091g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.399g/mol
Monoisotopic Mass:
245.091g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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