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108377-42-0 | 2-Thiazolidinethione, 3-(1-oxododecyl)-
CAS No: 108377-42-0 Catalog No: AG007USB MDL No:
Product Description
Catalog Number:
AG007USB
Chemical Name:
2-Thiazolidinethione, 3-(1-oxododecyl)-
CAS Number:
108377-42-0
Molecular Formula:
C15H27NOS2
Molecular Weight:
301.5110
IUPAC Name:
1-(2-sulfanylidene-1,3-thiazolidin-3-yl)dodecan-1-one
InChI:
InChI=1S/C15H27NOS2/c1-2-3-4-5-6-7-8-9-10-11-14(17)16-12-13-19-15(16)18/h2-13H2,1H3
InChI Key:
ZMYPQMFGUZQRDW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)N1CCSC1=S
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.153g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.507g/mol
Monoisotopic Mass:
301.153g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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