Home Other Building Blocks 1-benzylpyrrolidine-2-thione

1-benzylpyrrolidine-2-thione

CAS No.:
17642-88-5
Catalog Number:
AG01DIGC
Molecular Formula:
C11H13NS
Molecular Weight:
191.2926
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01DIGC
Chemical Name:
1-benzylpyrrolidine-2-thione
CAS Number:
17642-88-5
Molecular Formula:
C11H13NS
Molecular Weight:
191.2926
MDL Number:
MFCD00462605
IUPAC Name:
1-benzylpyrrolidine-2-thione
InChI:
InChI=1S/C11H13NS/c13-11-7-4-8-12(11)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChI Key:
QRUOAUZJVLZQIA-UHFFFAOYSA-N
SMILES:
S=C1CCCN1Cc1ccccc1
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.077g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.292g/mol
Monoisotopic Mass:
191.077g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties