Home Other Building Blocks 3-[(cyclopentylsulfanyl)methyl]aniline hydrochloride

3-[(cyclopentylsulfanyl)methyl]aniline hydrochloride

CAS No.:
1333832-61-3
Catalog Number:
AG01AKI9
Molecular Formula:
C12H18ClNS
Molecular Weight:
243.7960
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Product Description
Catalog Number:
AG01AKI9
Chemical Name:
3-[(cyclopentylsulfanyl)methyl]aniline hydrochloride
CAS Number:
1333832-61-3
Molecular Formula:
C12H18ClNS
Molecular Weight:
243.7960
MDL Number:
MFCD19982583
IUPAC Name:
3-(cyclopentylsulfanylmethyl)aniline;hydrochloride
InChI:
InChI=1S/C12H17NS.ClH/c13-11-5-3-4-10(8-11)9-14-12-6-1-2-7-12;/h3-5,8,12H,1-2,6-7,9,13H2;1H
InChI Key:
YORBLLOHGXUBGP-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)CSC1CCCC1.Cl
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.085g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
243.793g/mol
Monoisotopic Mass:
243.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties