Home Halogens 3,4-Dichlorophenylthioethanol

3,4-Dichlorophenylthioethanol

CAS No.:
85053-06-1
Catalog Number:
AG01EXS0
Molecular Formula:
C8H8Cl2OS
Molecular Weight:
223.1195
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$107
- +
5g
98%
1 week
United States
$239
- +
Product Description
Catalog Number:
AG01EXS0
Chemical Name:
3,4-Dichlorophenylthioethanol
CAS Number:
85053-06-1
Molecular Formula:
C8H8Cl2OS
Molecular Weight:
223.1195
MDL Number:
MFCD03789203
IUPAC Name:
2-(3,4-dichlorophenyl)sulfanylethanol
InChI:
InChI=1S/C8H8Cl2OS/c9-7-2-1-6(5-8(7)10)12-4-3-11/h1-2,5,11H,3-4H2
InChI Key:
BWRURDYHPUVXMI-UHFFFAOYSA-N
SMILES:
OCCSc1ccc(c(c1)Cl)Cl
Properties
Complexity:
134  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.967g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.111g/mol
Monoisotopic Mass:
221.967g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties