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113541-81-4 | Pyrrolidine, 1-[4-(phenylthio)-1-buten-1-yl]-
CAS No: 113541-81-4 Catalog No: AG0008XO MDL No:
Product Description
Catalog Number:
AG0008XO
Chemical Name:
Pyrrolidine, 1-[4-(phenylthio)-1-buten-1-yl]-
CAS Number:
113541-81-4
Molecular Formula:
C14H19NS
Molecular Weight:
233.3724
IUPAC Name:
1-(4-phenylsulfanylbut-1-enyl)pyrrolidine
InChI:
InChI=1S/C14H19NS/c1-2-8-14(9-3-1)16-13-7-6-12-15-10-4-5-11-15/h1-3,6,8-9,12H,4-5,7,10-11,13H2
InChI Key:
ZHUFBDNJOSMDAR-UHFFFAOYSA-N
SMILES:
C(CSc1ccccc1)C=CN1CCCC1
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.124g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.373g/mol
Monoisotopic Mass:
233.124g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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