Home Halogens 2-{[(4-chlorophenyl)methyl]sulfanyl}ethan-1-amine hydrochloride

2-{[(4-chlorophenyl)methyl]sulfanyl}ethan-1-amine hydrochloride

CAS No.:
99048-99-4
Catalog Number:
AG019NAY
Molecular Formula:
C9H13Cl2NS
Molecular Weight:
238.1772
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Product Description
Catalog Number:
AG019NAY
Chemical Name:
2-{[(4-chlorophenyl)methyl]sulfanyl}ethan-1-amine hydrochloride
CAS Number:
99048-99-4
Molecular Formula:
C9H13Cl2NS
Molecular Weight:
238.1772
MDL Number:
MFCD11505525
IUPAC Name:
2-[(4-chlorophenyl)methylsulfanyl]ethanamine;hydrochloride
InChI:
InChI=1S/C9H12ClNS.ClH/c10-9-3-1-8(2-4-9)7-12-6-5-11;/h1-4H,5-7,11H2;1H
InChI Key:
PITYMNLLTOYUIR-UHFFFAOYSA-N
SMILES:
NCCSCc1ccc(cc1)Cl.Cl
Properties
Complexity:
113  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.015g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
238.17g/mol
Monoisotopic Mass:
237.015g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties