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2138033-97-1 | 2-(azepan-4-yl)-1lambda6,2-thiazolidine-1,1-dione hydrochloride
CAS No: 2138033-97-1 Catalog No: AG01EJ63 MDL No:MFCD31559057
Product Description
Catalog Number:
AG01EJ63
Chemical Name:
2-(azepan-4-yl)-1lambda6,2-thiazolidine-1,1-dione hydrochloride
CAS Number:
2138033-97-1
Molecular Formula:
C9H19ClN2O2S
Molecular Weight:
254.7774
MDL Number:
MFCD31559057
IUPAC Name:
2-(azepan-4-yl)-1,2-thiazolidine 1,1-dioxide;hydrochloride
InChI:
InChI=1S/C9H18N2O2S.ClH/c12-14(13)8-2-7-11(14)9-3-1-5-10-6-4-9;/h9-10H,1-8H2;1H
InChI Key:
IKRZDSQCZSVLKV-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCCN1C1CCNCCC1.Cl
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.086g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.773g/mol
Monoisotopic Mass:
254.086g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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