Home Other Building Blocks 2-[(2-CHLOROBENZYL)THIO]ETHYLAMINE

2-[(2-CHLOROBENZYL)THIO]ETHYLAMINE

CAS No.:
42416-23-9
Catalog Number:
AG00C8FH
Molecular Formula:
C9H12ClNS
Molecular Weight:
201.7163
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Product Description
Catalog Number:
AG00C8FH
Chemical Name:
2-[(2-CHLOROBENZYL)THIO]ETHYLAMINE
CAS Number:
42416-23-9
Molecular Formula:
C9H12ClNS
Molecular Weight:
201.7163
MDL Number:
MFCD01764943
IUPAC Name:
2-[(2-chlorophenyl)methylsulfanyl]ethanamine
InChI:
InChI=1S/C9H12ClNS/c10-9-4-2-1-3-8(9)7-12-6-5-11/h1-4H,5-7,11H2
InChI Key:
CEOBXCFVZOZDFM-UHFFFAOYSA-N
SMILES:
NCCSCc1ccccc1Cl
NSC Number:
35755
Properties
Complexity:
121  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.038g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
201.712g/mol
Monoisotopic Mass:
201.038g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties