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353467-32-0 | 5,5-Bis(hydroxymethyl)-1,3-thiazolidine-2,4-dione
CAS No: 353467-32-0 Catalog No: AG01EFP4 MDL No:
Product Description
Catalog Number:
AG01EFP4
Chemical Name:
5,5-Bis(hydroxymethyl)-1,3-thiazolidine-2,4-dione
CAS Number:
353467-32-0
Molecular Formula:
C5H7NO4S
Molecular Weight:
177.1784
IUPAC Name:
5,5-bis(hydroxymethyl)-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C5H7NO4S/c7-1-5(2-8)3(9)6-4(10)11-5/h7-8H,1-2H2,(H,6,9,10)
InChI Key:
XNYJWZMBJIYSED-UHFFFAOYSA-N
SMILES:
OCC1(CO)SC(=O)NC1=O
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.01g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
177.174g/mol
Monoisotopic Mass:
177.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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