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55897-35-3 | 4,4-dimethyl-1,2-thiazetidine-1,1,3-trione
CAS No: 55897-35-3 Catalog No: AG019TU4 MDL No:MFCD22196693
Product Description
Catalog Number:
AG019TU4
Chemical Name:
4,4-dimethyl-1,2-thiazetidine-1,1,3-trione
CAS Number:
55897-35-3
Molecular Formula:
C4H7NO3S
Molecular Weight:
149.1683
MDL Number:
MFCD22196693
IUPAC Name:
4,4-dimethyl-1,1-dioxothiazetidin-3-one
InChI:
InChI=1S/C4H7NO3S/c1-4(2)3(6)5-9(4,7)8/h1-2H3,(H,5,6)
InChI Key:
HWYSTNRVRZHFDU-UHFFFAOYSA-N
SMILES:
O=C1NS(=O)(=O)C1(C)C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.015g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
149.164g/mol
Monoisotopic Mass:
149.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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