Home Halogens 1-(2-chlorophenyl)ethane-1-thiol

1-(2-chlorophenyl)ethane-1-thiol

CAS No.:
1016716-81-6
Catalog Number:
AG019XLN
Molecular Formula:
C8H9ClS
Molecular Weight:
172.6751
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Product Description
Catalog Number:
AG019XLN
Chemical Name:
1-(2-chlorophenyl)ethane-1-thiol
CAS Number:
1016716-81-6
Molecular Formula:
C8H9ClS
Molecular Weight:
172.6751
MDL Number:
MFCD09809852
IUPAC Name:
1-(2-chlorophenyl)ethanethiol
InChI:
InChI=1S/C8H9ClS/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3
InChI Key:
LNABFJUDGPKURG-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1Cl)S
Properties
Complexity:
105  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.011g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.67g/mol
Monoisotopic Mass:
172.011g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties