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89515-40-2 | Pyrrolidine, 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)thioxomethyl]-
CAS No: 89515-40-2 Catalog No: AG0040SN MDL No:
Product Description
Catalog Number:
AG0040SN
Chemical Name:
Pyrrolidine, 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)thioxomethyl]-
CAS Number:
89515-40-2
Molecular Formula:
C13H13N3OS
Molecular Weight:
259.3268
IUPAC Name:
(5-phenyl-1,3,4-oxadiazol-2-yl)-pyrrolidin-1-ylmethanethione
InChI:
InChI=1S/C13H13N3OS/c18-13(16-8-4-5-9-16)12-15-14-11(17-12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChI Key:
HCEXCFKSLMCAHJ-UHFFFAOYSA-N
SMILES:
S=C(c1nnc(o1)c1ccccc1)N1CCCC1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.078g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.327g/mol
Monoisotopic Mass:
259.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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