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1341330-22-0 | 2-(azepan-3-yl)-1lambda6,2-thiazolidine-1,1-dione
CAS No: 1341330-22-0 Catalog No: AG01DVAI MDL No:MFCD19630673
Product Description
Catalog Number:
AG01DVAI
Chemical Name:
2-(azepan-3-yl)-1lambda6,2-thiazolidine-1,1-dione
CAS Number:
1341330-22-0
Molecular Formula:
C9H18N2O2S
Molecular Weight:
218.3164
MDL Number:
MFCD19630673
IUPAC Name:
2-(azepan-3-yl)-1,2-thiazolidine 1,1-dioxide
InChI:
InChI=1S/C9H18N2O2S/c12-14(13)7-3-6-11(14)9-4-1-2-5-10-8-9/h9-10H,1-8H2
InChI Key:
ANZDKMRMGVMYAQ-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCCN1C1CCCCNC1
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.109g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.315g/mol
Monoisotopic Mass:
218.109g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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