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1864073-72-2 | 7,7-dimethyl-1lambda4,4-thiazepan-1-one
CAS No: 1864073-72-2 Catalog No: AG01C1CX MDL No:MFCD29041376
Product Description
Catalog Number:
AG01C1CX
Chemical Name:
7,7-dimethyl-1lambda4,4-thiazepan-1-one
CAS Number:
1864073-72-2
Molecular Formula:
C7H15NOS
Molecular Weight:
161.2651
MDL Number:
MFCD29041376
IUPAC Name:
7,7-dimethyl-1,4-thiazepane 1-oxide
InChI:
InChI=1S/C7H15NOS/c1-7(2)3-4-8-5-6-10(7)9/h8H,3-6H2,1-2H3
InChI Key:
MHKDUWUTBYSSPA-UHFFFAOYSA-N
SMILES:
O=S1CCNCCC1(C)C
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.087g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.263g/mol
Monoisotopic Mass:
161.087g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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