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1472665-83-0 | 5-methyl-1,4-thiazepane-1,1-dione
CAS No: 1472665-83-0 Catalog No: AG01BE70 MDL No:MFCD21723553
Product Description
Catalog Number:
AG01BE70
Chemical Name:
5-methyl-1,4-thiazepane-1,1-dione
CAS Number:
1472665-83-0
Molecular Formula:
C6H13NO2S
Molecular Weight:
163.2379
MDL Number:
MFCD21723553
IUPAC Name:
5-methyl-1,4-thiazepane 1,1-dioxide
InChI:
InChI=1S/C6H13NO2S/c1-6-2-4-10(8,9)5-3-7-6/h6-7H,2-5H2,1H3
InChI Key:
UQBXDLRTMVKIQE-UHFFFAOYSA-N
SMILES:
CC1NCCS(=O)(=O)CC1
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.067g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.235g/mol
Monoisotopic Mass:
163.067g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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