Home Other Building Blocks 2-Chloro-4-methylphenyl isothiocyanate

2-Chloro-4-methylphenyl isothiocyanate

CAS No.:
57878-93-0
Catalog Number:
AG00EDRI
Molecular Formula:
C8H6ClNS
Molecular Weight:
183.6579
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$73
- +
5g
98%
1 week
United States
$94
- +
25g
98%
1 week
United States
$220
- +
100g
98%
1 week
United States
$587
- +
Product Description
Catalog Number:
AG00EDRI
Chemical Name:
2-Chloro-4-methylphenyl isothiocyanate
CAS Number:
57878-93-0
Molecular Formula:
C8H6ClNS
Molecular Weight:
183.6579
MDL Number:
MFCD00046791
IUPAC Name:
2-chloro-1-isothiocyanato-4-methylbenzene
InChI:
InChI=1S/C8H6ClNS/c1-6-2-3-8(10-5-11)7(9)4-6/h2-4H,1H3
InChI Key:
UIZZXGXTVVWRED-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1Cl)C
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