Home Other Building Blocks 4-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}aniline

4-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}aniline

CAS No.:
343953-72-0
Catalog Number:
AG01C5OL
Molecular Formula:
C12H18N2S
Molecular Weight:
222.3497
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Product Description
Catalog Number:
AG01C5OL
Chemical Name:
4-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}aniline
CAS Number:
343953-72-0
Molecular Formula:
C12H18N2S
Molecular Weight:
222.3497
MDL Number:
MFCD11635207
IUPAC Name:
4-(2-pyrrolidin-1-ylethylsulfanyl)aniline
InChI:
InChI=1S/C12H18N2S/c13-11-3-5-12(6-4-11)15-10-9-14-7-1-2-8-14/h3-6H,1-2,7-10,13H2
InChI Key:
WYFHOHUWGHPEGV-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)SCCN1CCCC1
Properties
Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.119g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.35g/mol
Monoisotopic Mass:
222.119g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties