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73855-66-0 | PIPERIDINE; (5E)-5-(PIPERIDIN-1-YLMETHYLIDENE)-2-SULFANYLIDENE-THIAZOLIDIN-4-ONE
CAS No: 73855-66-0 Catalog No: AG005K6M MDL No:
Product Description
Catalog Number:
AG005K6M
Chemical Name:
PIPERIDINE; (5E)-5-(PIPERIDIN-1-YLMETHYLIDENE)-2-SULFANYLIDENE-THIAZOLIDIN-4-ONE
CAS Number:
73855-66-0
Molecular Formula:
C14H23N3OS2
Molecular Weight:
313.4819
IUPAC Name:
piperidine;(5E)-5-(piperidin-1-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C9H12N2OS2.C5H11N/c12-8-7(14-9(13)10-8)6-11-4-2-1-3-5-11;1-2-4-6-5-3-1/h6H,1-5H2,(H,10,12,13);6H,1-5H2/b7-6+;
InChI Key:
OJKOQHZAIOJDCX-UHDJGPCESA-N
SMILES:
C1CCCNC1.S=C1S/C(=C/N2CCCCC2)/C(=O)N1
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
313.128g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.478g/mol
Monoisotopic Mass:
313.128g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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