Home Halogens Benzene, 4-chloro-2-isothiocyanato-1-methyl-

Benzene, 4-chloro-2-isothiocyanato-1-methyl-

CAS No.:
19241-36-2
Catalog Number:
AG002FX5
Molecular Formula:
C8H6ClNS
Molecular Weight:
183.6579
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$63
- +
5g
98%
1 week
United States
$73
- +
25g
98%
1 week
United States
$175
- +
100g
98%
1 week
United States
$559
- +
Product Description
Catalog Number:
AG002FX5
Chemical Name:
Benzene, 4-chloro-2-isothiocyanato-1-methyl-
CAS Number:
19241-36-2
Molecular Formula:
C8H6ClNS
Molecular Weight:
183.6579
MDL Number:
MFCD00046801
IUPAC Name:
4-chloro-2-isothiocyanato-1-methylbenzene
InChI:
InChI=1S/C8H6ClNS/c1-6-2-3-7(9)4-8(6)10-5-11/h2-4H,1H3
InChI Key:
VDBDGAPNWNWUSA-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1N=C=S)Cl
NSC Number:
134677
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:
4.3  
Properties