Home Halogens 2-{[(2,2-dichlorocyclopropyl)methyl]sulfanyl}aniline

2-{[(2,2-dichlorocyclopropyl)methyl]sulfanyl}aniline

CAS No.:
1146290-11-0
Catalog Number:
AG019UVM
Molecular Formula:
C10H11Cl2NS
Molecular Weight:
248.1720
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Product Description
Catalog Number:
AG019UVM
Chemical Name:
2-{[(2,2-dichlorocyclopropyl)methyl]sulfanyl}aniline
CAS Number:
1146290-11-0
Molecular Formula:
C10H11Cl2NS
Molecular Weight:
248.1720
MDL Number:
MFCD11857996
IUPAC Name:
2-[(2,2-dichlorocyclopropyl)methylsulfanyl]aniline
InChI:
InChI=1S/C10H11Cl2NS/c11-10(12)5-7(10)6-14-9-4-2-1-3-8(9)13/h1-4,7H,5-6,13H2
InChI Key:
ABBVLAQJFLFDOB-UHFFFAOYSA-N
SMILES:
Nc1ccccc1SCC1CC1(Cl)Cl
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.999g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.165g/mol
Monoisotopic Mass:
246.999g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties