Home Halogens 3,4-Dichlorophenyl isothiocyanate

3,4-Dichlorophenyl isothiocyanate

CAS No.:
6590-94-9
Catalog Number:
AG003IGE
Molecular Formula:
C7H3Cl2NS
Molecular Weight:
204.0764
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$30
- +
25g
98%
In Stock USA
United States
$93
- +
100g
98%
In Stock USA
United States
$280
- +
Product Description
Catalog Number:
AG003IGE
Chemical Name:
3,4-Dichlorophenyl isothiocyanate
CAS Number:
6590-94-9
Molecular Formula:
C7H3Cl2NS
Molecular Weight:
204.0764
MDL Number:
MFCD00037828
IUPAC Name:
1,2-dichloro-4-isothiocyanatobenzene
InChI:
InChI=1S/C7H3Cl2NS/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H
InChI Key:
OSBIEFWIIINTNJ-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(c(c1)Cl)Cl
EC Number:
229-526-0
NSC Number:
220236
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.936g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.068g/mol
Monoisotopic Mass:
202.936g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Properties