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74472-23-4 | 2-Thiazolidinethione, 3-(1-oxononyl)-
CAS No: 74472-23-4 Catalog No: AG008PYI MDL No:
Product Description
Catalog Number:
AG008PYI
Chemical Name:
2-Thiazolidinethione, 3-(1-oxononyl)-
CAS Number:
74472-23-4
Molecular Formula:
C12H21NOS2
Molecular Weight:
259.4312
IUPAC Name:
1-(2-sulfanylidene-1,3-thiazolidin-3-yl)nonan-1-one
InChI:
InChI=1S/C12H21NOS2/c1-2-3-4-5-6-7-8-11(14)13-9-10-16-12(13)15/h2-10H2,1H3
InChI Key:
MYNHLCHQCBTPRK-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(=O)N1CCSC1=S
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.426g/mol
Monoisotopic Mass:
259.106g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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