Home Other Building Blocks 1-benzylpyrrolidine-3-carbothioamide

1-benzylpyrrolidine-3-carbothioamide

CAS No.:
774159-62-5
Catalog Number:
AG01ACEX
Molecular Formula:
C12H16N2S
Molecular Weight:
220.3338
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01ACEX
Chemical Name:
1-benzylpyrrolidine-3-carbothioamide
CAS Number:
774159-62-5
Molecular Formula:
C12H16N2S
Molecular Weight:
220.3338
MDL Number:
MFCD30730388
IUPAC Name:
1-benzylpyrrolidine-3-carbothioamide
InChI:
InChI=1S/C12H16N2S/c13-12(15)11-6-7-14(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,13,15)
InChI Key:
SXSKQICXHDANJG-UHFFFAOYSA-N
SMILES:
NC(=S)C1CCN(C1)Cc1ccccc1
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.103g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.334g/mol
Monoisotopic Mass:
220.103g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties