Home Other Building Blocks {1-[(4-methylphenyl)sulfanyl]cyclopentyl}methanamine

{1-[(4-methylphenyl)sulfanyl]cyclopentyl}methanamine

CAS No.:
1376239-65-4
Catalog Number:
AG019YHD
Molecular Formula:
C13H19NS
Molecular Weight:
221.3617
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Product Description
Catalog Number:
AG019YHD
Chemical Name:
{1-[(4-methylphenyl)sulfanyl]cyclopentyl}methanamine
CAS Number:
1376239-65-4
Molecular Formula:
C13H19NS
Molecular Weight:
221.3617
MDL Number:
MFCD21684934
IUPAC Name:
[1-(4-methylphenyl)sulfanylcyclopentyl]methanamine
InChI:
InChI=1S/C13H19NS/c1-11-4-6-12(7-5-11)15-13(10-14)8-2-3-9-13/h4-7H,2-3,8-10,14H2,1H3
InChI Key:
WIQHRTCQIDULMI-UHFFFAOYSA-N
SMILES:
NCC1(CCCC1)Sc1ccc(cc1)C
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.124g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.362g/mol
Monoisotopic Mass:
221.124g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties