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87973-66-8 | Thiomorpholine, 4-(2-ethoxyethyl)-, 1,1-dioxide
CAS No: 87973-66-8 Catalog No: AG004IFD MDL No:
Product Description
Catalog Number:
AG004IFD
Chemical Name:
Thiomorpholine, 4-(2-ethoxyethyl)-, 1,1-dioxide
CAS Number:
87973-66-8
Molecular Formula:
C8H17NO3S
Molecular Weight:
207.2905
IUPAC Name:
4-(2-ethoxyethyl)-1,4-thiazinane 1,1-dioxide
InChI:
InChI=1S/C8H17NO3S/c1-2-12-6-3-9-4-7-13(10,11)8-5-9/h2-8H2,1H3
InChI Key:
KGCLIVDXYQNNHK-UHFFFAOYSA-N
SMILES:
CCOCCN1CCS(=O)(=O)CC1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.093g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.288g/mol
Monoisotopic Mass:
207.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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