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404572-56-1 | Ethanethioic acid, S-[(2-methyl-5-isoxazolidinyl)methyl] ester
CAS No: 404572-56-1 Catalog No: AG0072TC MDL No:
Product Description
Catalog Number:
AG0072TC
Chemical Name:
Ethanethioic acid, S-[(2-methyl-5-isoxazolidinyl)methyl] ester
CAS Number:
404572-56-1
Molecular Formula:
C7H13NO2S
Molecular Weight:
175.2486
IUPAC Name:
S-[(2-methyl-1,2-oxazolidin-5-yl)methyl] ethanethioate
InChI:
InChI=1S/C7H13NO2S/c1-6(9)11-5-7-3-4-8(2)10-7/h7H,3-5H2,1-2H3
InChI Key:
CHNOLHRIRKZGOE-UHFFFAOYSA-N
SMILES:
CN1CCC(O1)CSC(=O)C
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.067g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.246g/mol
Monoisotopic Mass:
175.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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