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58742-87-3 | 2,3,3-trimethyl-1lambda6,2-thiazolidine-1,1,4-trione
CAS No: 58742-87-3 Catalog No: AG01CA7R MDL No:MFCD24693830
Product Description
Catalog Number:
AG01CA7R
Chemical Name:
2,3,3-trimethyl-1lambda6,2-thiazolidine-1,1,4-trione
CAS Number:
58742-87-3
Molecular Formula:
C6H11NO3S
Molecular Weight:
177.2214
MDL Number:
MFCD24693830
IUPAC Name:
2,3,3-trimethyl-1,1-dioxo-1,2-thiazolidin-4-one
InChI:
InChI=1S/C6H11NO3S/c1-6(2)5(8)4-11(9,10)7(6)3/h4H2,1-3H3
InChI Key:
CSHINLDQYIQLGP-UHFFFAOYSA-N
SMILES:
O=C1CS(=O)(=O)N(C1(C)C)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.046g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.218g/mol
Monoisotopic Mass:
177.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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