Home Halogens 1,3-Dichloro-2-isothiocyanatobenzene

1,3-Dichloro-2-isothiocyanatobenzene

CAS No.:
6590-95-0
Catalog Number:
AG003G3O
Molecular Formula:
C7H3Cl2NS
Molecular Weight:
204.0764
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$36
- +
5g
95%
In Stock USA
United States
$61
- +
25g
95%
In Stock USA
United States
$144
- +
100g
95%
In Stock USA
United States
$394
- +
Product Description
Catalog Number:
AG003G3O
Chemical Name:
1,3-Dichloro-2-isothiocyanatobenzene
CAS Number:
6590-95-0
Molecular Formula:
C7H3Cl2NS
Molecular Weight:
204.0764
MDL Number:
MFCD00041056
IUPAC Name:
1,3-dichloro-2-isothiocyanatobenzene
InChI:
InChI=1S/C7H3Cl2NS/c8-5-2-1-3-6(9)7(5)10-4-11/h1-3H
InChI Key:
SUCGVQHNGIQXGD-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(Cl)cccc1Cl
Properties
Complexity:
169  
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:
4.6  
Properties