Home Halogens (3-chloro-2-fluorophenyl)methanethiol

(3-chloro-2-fluorophenyl)methanethiol

CAS No.:
333743-31-0
Catalog Number:
AG01EISV
Molecular Formula:
C7H6ClFS
Molecular Weight:
176.6389
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01EISV
Chemical Name:
(3-chloro-2-fluorophenyl)methanethiol
CAS Number:
333743-31-0
Molecular Formula:
C7H6ClFS
Molecular Weight:
176.6389
MDL Number:
MFCD06798034
IUPAC Name:
(3-chloro-2-fluorophenyl)methanethiol
InChI:
InChI=1S/C7H6ClFS/c8-6-3-1-2-5(4-10)7(6)9/h1-3,10H,4H2
InChI Key:
SOXZOCWUQRINNR-UHFFFAOYSA-N
SMILES:
SCc1cccc(c1F)Cl
Properties
Complexity:
110  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.986g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.633g/mol
Monoisotopic Mass:
175.986g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties