Home Other Building Blocks 5-methyl-1lambda4,4-thiazepan-1-one hydrochloride

5-methyl-1lambda4,4-thiazepan-1-one hydrochloride

CAS No.:
1795189-24-0
Catalog Number:
AG01BE6X
Molecular Formula:
C6H14ClNOS
Molecular Weight:
183.6995
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Product Description
Catalog Number:
AG01BE6X
Chemical Name:
5-methyl-1lambda4,4-thiazepan-1-one hydrochloride
CAS Number:
1795189-24-0
Molecular Formula:
C6H14ClNOS
Molecular Weight:
183.6995
MDL Number:
MFCD28063972
IUPAC Name:
5-methyl-1,4-thiazepane 1-oxide;hydrochloride
InChI:
InChI=1S/C6H13NOS.ClH/c1-6-2-4-9(8)5-3-7-6;/h6-7H,2-5H2,1H3;1H
InChI Key:
HYPGIEQRDUZMOC-UHFFFAOYSA-N
SMILES:
CC1NCCS(=O)CC1.Cl
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.048g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
183.694g/mol
Monoisotopic Mass:
183.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties