Home Other Building Blocks 3-[(phenylsulfanyl)methyl]pyrrolidine

3-[(phenylsulfanyl)methyl]pyrrolidine

CAS No.:
141699-76-5
Catalog Number:
AG019SGZ
Molecular Formula:
C11H15NS
Molecular Weight:
193.3085
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Product Description
Catalog Number:
AG019SGZ
Chemical Name:
3-[(phenylsulfanyl)methyl]pyrrolidine
CAS Number:
141699-76-5
Molecular Formula:
C11H15NS
Molecular Weight:
193.3085
MDL Number:
MFCD16715145
IUPAC Name:
3-(phenylsulfanylmethyl)pyrrolidine
InChI:
InChI=1S/C11H15NS/c1-2-4-11(5-3-1)13-9-10-6-7-12-8-10/h1-5,10,12H,6-9H2
InChI Key:
AYLPIJTVKMODTL-UHFFFAOYSA-N
SMILES:
C1NCC(C1)CSc1ccccc1
Properties
Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.093g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
193.308g/mol
Monoisotopic Mass:
193.093g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties