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109267-52-9 | 2-Thiazolidinethione, 4-ethyl-3-[(methylthio)acetyl]-, (S)-
CAS No: 109267-52-9 Catalog No: AG0082OX MDL No:
Product Description
Catalog Number:
AG0082OX
Chemical Name:
2-Thiazolidinethione, 4-ethyl-3-[(methylthio)acetyl]-, (S)-
CAS Number:
109267-52-9
Molecular Formula:
C8H13NOS3
Molecular Weight:
235.3899
IUPAC Name:
1-(4-ethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-methylsulfanylethanone
InChI:
InChI=1S/C8H13NOS3/c1-3-6-4-13-8(11)9(6)7(10)5-12-2/h6H,3-5H2,1-2H3
InChI Key:
ZSHFXGRCOLMYAL-UHFFFAOYSA-N
SMILES:
CSCC(=O)N1[C@@H](CC)CSC1=S
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.016g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.378g/mol
Monoisotopic Mass:
235.016g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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