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Home Other Building Blocks 7,7-dimethyl-1lambda4,4-thiazepan-1-one hydrochloride

7,7-dimethyl-1lambda4,4-thiazepan-1-one hydrochloride

CAS No.:
1864073-73-3
Catalog Number:
AG01C1CW
Molecular Formula:
C7H16ClNOS
Molecular Weight:
197.7260
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Product Description
Catalog Number:
AG01C1CW
Chemical Name:
7,7-dimethyl-1lambda4,4-thiazepan-1-one hydrochloride
CAS Number:
1864073-73-3
Molecular Formula:
C7H16ClNOS
Molecular Weight:
197.7260
MDL Number:
MFCD29041375
IUPAC Name:
7,7-dimethyl-1,4-thiazepane 1-oxide;hydrochloride
InChI:
InChI=1S/C7H15NOS.ClH/c1-7(2)3-4-8-5-6-10(7)9;/h8H,3-6H2,1-2H3;1H
InChI Key:
UEWJEQHJPSZJDH-UHFFFAOYSA-N
SMILES:
O=S1CCNCCC1(C)C.Cl
Properties
Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.064g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
197.721g/mol
Monoisotopic Mass:
197.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties