Home Halogens 1-chloro-4-isothiocyanato-2-methylbenzene

1-chloro-4-isothiocyanato-2-methylbenzene

CAS No.:
23163-92-0
Catalog Number:
AG00JCII
Molecular Formula:
C8H6ClNS
Molecular Weight:
183.6579
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$105
- +
1g
97%
1 week
United States
$170
- +
Product Description
Catalog Number:
AG00JCII
Chemical Name:
1-chloro-4-isothiocyanato-2-methylbenzene
CAS Number:
23163-92-0
Molecular Formula:
C8H6ClNS
Molecular Weight:
183.6579
MDL Number:
MFCD03093794
IUPAC Name:
1-chloro-4-isothiocyanato-2-methylbenzene
InChI:
InChI=1S/C8H6ClNS/c1-6-4-7(10-5-11)2-3-8(6)9/h2-4H,1H3
InChI Key:
UNEGWYFKUFWKAZ-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(c(c1)C)Cl
Properties
Complexity:
177  
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:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Properties