Home Other Building Blocks 2-CHLOROPHENYL ISOTHIOCYANATE

2-CHLOROPHENYL ISOTHIOCYANATE

CAS No.:
2740-81-0
Catalog Number:
AG003H36
Molecular Formula:
C7H4ClNS
Molecular Weight:
169.6314
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$123
- +
25g
>95.0%(GC)
1 week
United States
$188
- +
Product Description
Catalog Number:
AG003H36
Chemical Name:
2-CHLOROPHENYL ISOTHIOCYANATE
CAS Number:
2740-81-0
Molecular Formula:
C7H4ClNS
Molecular Weight:
169.6314
MDL Number:
MFCD00004801
IUPAC Name:
1-chloro-2-isothiocyanatobenzene
InChI:
InChI=1S/C7H4ClNS/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
InChI Key:
DASSPOJBUMBXLU-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccccc1Cl
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.975g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.626g/mol
Monoisotopic Mass:
168.975g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties