Home Other Building Blocks 2-(Methylthio)phenyl isothiocyanate

2-(Methylthio)phenyl isothiocyanate

CAS No.:
51333-75-6
Catalog Number:
AG003F3S
Molecular Formula:
C8H7NS2
Molecular Weight:
181.2779
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$65
- +
5g
97%
In Stock USA
United States
$288
- +
Product Description
Catalog Number:
AG003F3S
Chemical Name:
2-(Methylthio)phenyl isothiocyanate
CAS Number:
51333-75-6
Molecular Formula:
C8H7NS2
Molecular Weight:
181.2779
MDL Number:
MFCD00041061
IUPAC Name:
1-isothiocyanato-2-methylsulfanylbenzene
InChI:
InChI=1S/C8H7NS2/c1-11-8-5-3-2-4-7(8)9-6-10/h2-5H,1H3
InChI Key:
SIODOISHDGRELW-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccccc1SC
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.002g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.271g/mol
Monoisotopic Mass:
181.002g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties