Home Other Building Blocks 6-methyl-1,4-thiazepane-1,1-dione hydrochloride

6-methyl-1,4-thiazepane-1,1-dione hydrochloride

CAS No.:
1795471-95-2
Catalog Number:
AG01BE6K
Molecular Formula:
C6H14ClNO2S
Molecular Weight:
199.6989
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Product Description
Catalog Number:
AG01BE6K
Chemical Name:
6-methyl-1,4-thiazepane-1,1-dione hydrochloride
CAS Number:
1795471-95-2
Molecular Formula:
C6H14ClNO2S
Molecular Weight:
199.6989
MDL Number:
MFCD28063969
IUPAC Name:
6-methyl-1,4-thiazepane 1,1-dioxide;hydrochloride
InChI:
InChI=1S/C6H13NO2S.ClH/c1-6-4-7-2-3-10(8,9)5-6;/h6-7H,2-5H2,1H3;1H
InChI Key:
JKOMRRXXJXGGCU-UHFFFAOYSA-N
SMILES:
CC1CNCCS(=O)(=O)C1.Cl
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.043g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
199.693g/mol
Monoisotopic Mass:
199.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties