Home Halogens Methyl 4-chloro-3-(methylsulfanyl)benzoate

Methyl 4-chloro-3-(methylsulfanyl)benzoate

CAS No.:
166811-70-7
Catalog Number:
AG00AQGR
Molecular Formula:
C9H9ClO2S
Molecular Weight:
216.6846
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$300
- +
5g
98%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG00AQGR
Chemical Name:
Methyl 4-chloro-3-(methylsulfanyl)benzoate
CAS Number:
166811-70-7
Molecular Formula:
C9H9ClO2S
Molecular Weight:
216.6846
MDL Number:
MFCD22489119
IUPAC Name:
methyl 4-chloro-3-methylsulfanylbenzoate
InChI:
InChI=1S/C9H9ClO2S/c1-12-9(11)6-3-4-7(10)8(5-6)13-2/h3-5H,1-2H3
InChI Key:
HRZUXPSAFUPMSG-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)SC)Cl
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.001g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.679g/mol
Monoisotopic Mass:
216.001g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties