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69226-25-1 | 3-Thiomorpholinone, 2,5,5-trimethyl-
CAS No: 69226-25-1 Catalog No: AG005KJ1 MDL No:MFCD01680327
Product Description
Catalog Number:
AG005KJ1
Chemical Name:
3-Thiomorpholinone, 2,5,5-trimethyl-
CAS Number:
69226-25-1
Molecular Formula:
C7H13NOS
Molecular Weight:
159.2492
MDL Number:
MFCD01680327
IUPAC Name:
2,5,5-trimethylthiomorpholin-3-one
InChI:
InChI=1S/C7H13NOS/c1-5-6(9)8-7(2,3)4-10-5/h5H,4H2,1-3H3,(H,8,9)
InChI Key:
UJWBWDXOLBZDQY-UHFFFAOYSA-N
SMILES:
O=C1NC(C)(C)CSC1C
NSC Number:
17630
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.072g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.247g/mol
Monoisotopic Mass:
159.072g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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