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Home > Thiazole > 1535314-44-3
1535314-44-3 | 7-methyl-1,4-thiazepane-1,1-dione
CAS No: 1535314-44-3 Catalog No: AG01BDZG MDL No:MFCD21725813
Product Description
Catalog Number:
AG01BDZG
Chemical Name:
7-methyl-1,4-thiazepane-1,1-dione
CAS Number:
1535314-44-3
Molecular Formula:
C6H13NO2S
Molecular Weight:
163.2379
MDL Number:
MFCD21725813
IUPAC Name:
7-methyl-1,4-thiazepane 1,1-dioxide
InChI:
InChI=1S/C6H13NO2S/c1-6-2-3-7-4-5-10(6,8)9/h6-7H,2-5H2,1H3
InChI Key:
JQCHVWUZNIIXGG-UHFFFAOYSA-N
SMILES:
CC1CCNCCS1(=O)=O
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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