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2295-33-2 | 4-Thiazolidinone, 3-(4-pyridinylmethyl)-2-thioxo-
CAS No: 2295-33-2 Catalog No: AG002LNM MDL No:
Product Description
Catalog Number:
AG002LNM
Chemical Name:
4-Thiazolidinone, 3-(4-pyridinylmethyl)-2-thioxo-
CAS Number:
2295-33-2
Molecular Formula:
C9H8N2OS2
Molecular Weight:
224.3026
IUPAC Name:
3-(pyridin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C9H8N2OS2/c12-8-6-14-9(13)11(8)5-7-1-3-10-4-2-7/h1-4H,5-6H2
InChI Key:
MHFBRFLJEVFRCE-UHFFFAOYSA-N
SMILES:
O=C1CSC(=S)N1Cc1ccncc1
UNII:
GYX4TM2U8Y
NSC Number:
211428
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.008g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.296g/mol
Monoisotopic Mass:
224.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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