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595597-04-9 | 1??,4-thiazepane-1,1-dione hydrochloride
CAS No: 595597-04-9 Catalog No: AG018RXX MDL No:MFCD18380761
Product Description
Catalog Number:
AG018RXX
Chemical Name:
1??,4-thiazepane-1,1-dione hydrochloride
CAS Number:
595597-04-9
Molecular Formula:
C5H11NO2S
Molecular Weight:
149.2113
MDL Number:
MFCD18380761
IUPAC Name:
1,4-thiazepane 1,1-dioxide;hydrochloride
InChI:
InChI=1S/C5H11NO2S.ClH/c7-9(8)4-1-2-6-3-5-9;/h6H,1-5H2;1H
InChI Key:
UGGYXKVHVSBKFO-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCNCCC1
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.028g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.666g/mol
Monoisotopic Mass:
185.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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