Home Halogens Benzene, 1-chloro-2-(isothiocyanatomethyl)-

Benzene, 1-chloro-2-(isothiocyanatomethyl)-

CAS No.:
18967-44-7
Catalog Number:
AG002DVY
Molecular Formula:
C8H6ClNS
Molecular Weight:
183.6579
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$78
- +
5g
98%
In Stock USA
United States
$253
- +
Product Description
Catalog Number:
AG002DVY
Chemical Name:
Benzene, 1-chloro-2-(isothiocyanatomethyl)-
CAS Number:
18967-44-7
Molecular Formula:
C8H6ClNS
Molecular Weight:
183.6579
MDL Number:
MFCD00041110
IUPAC Name:
1-chloro-2-(isothiocyanatomethyl)benzene
InChI:
InChI=1S/C8H6ClNS/c9-8-4-2-1-3-7(8)5-10-6-11/h1-4H,5H2
InChI Key:
RMVDNJDSLXQPAV-UHFFFAOYSA-N
SMILES:
S=C=NCc1ccccc1Cl
NSC Number:
221237
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.991g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.653g/mol
Monoisotopic Mass:
182.991g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties