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205645-23-4 | 1H-Pyrrolizine, 2,3-dihydro-6-(methylthio)-5-phenyl-
CAS No: 205645-23-4 Catalog No: AG002A95 MDL No:
Product Description
Catalog Number:
AG002A95
Chemical Name:
1H-Pyrrolizine, 2,3-dihydro-6-(methylthio)-5-phenyl-
CAS Number:
205645-23-4
Molecular Formula:
C14H15NS
Molecular Weight:
229.3406
IUPAC Name:
6-methylsulfanyl-5-phenyl-2,3-dihydro-1H-pyrrolizine
InChI:
InChI=1S/C14H15NS/c1-16-13-10-12-8-5-9-15(12)14(13)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3
InChI Key:
NYCRXPVLOZEBEJ-UHFFFAOYSA-N
SMILES:
CSc1cc2n(c1c1ccccc1)CCC2
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.093g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.341g/mol
Monoisotopic Mass:
229.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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