Home Other Building Blocks 3,3-dimethyl-1??-thiomorpholin-1-one

3,3-dimethyl-1??-thiomorpholin-1-one

CAS No.:
1508554-59-3
Catalog Number:
AG01AD6Y
Molecular Formula:
C6H13NOS
Molecular Weight:
147.2385
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Product Description
Catalog Number:
AG01AD6Y
Chemical Name:
3,3-dimethyl-1??-thiomorpholin-1-one
CAS Number:
1508554-59-3
Molecular Formula:
C6H13NOS
Molecular Weight:
147.2385
MDL Number:
MFCD21727410
IUPAC Name:
3,3-dimethyl-1,4-thiazinane 1-oxide
InChI:
InChI=1S/C6H13NOS/c1-6(2)5-9(8)4-3-7-6/h7H,3-5H2,1-2H3
InChI Key:
LADLQUDXGGSLKJ-UHFFFAOYSA-N
SMILES:
O=S1CCNC(C1)(C)C
Properties
Complexity:
133  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.072g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
147.236g/mol
Monoisotopic Mass:
147.072g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties