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Home > Thiazole > 1482540-91-9
1482540-91-9 | 5-methyl-1,4-thiazepan-1-one
CAS No: 1482540-91-9 Catalog No: AG01BE6Y MDL No:MFCD21723505
Product Description
Catalog Number:
AG01BE6Y
Chemical Name:
5-methyl-1,4-thiazepan-1-one
CAS Number:
1482540-91-9
Molecular Formula:
C6H13NOS
Molecular Weight:
147.2385
MDL Number:
MFCD21723505
IUPAC Name:
5-methyl-1,4-thiazepane 1-oxide
InChI:
InChI=1S/C6H13NOS/c1-6-2-4-9(8)5-3-7-6/h6-7H,2-5H2,1H3
InChI Key:
QPIBDXWIHXCSIZ-UHFFFAOYSA-N
SMILES:
CC1NCCS(=O)CC1
Properties
Complexity:
116
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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