Home Other Building Blocks 2-(Methylthio)phenyl isocyanate

2-(Methylthio)phenyl isocyanate

CAS No.:
52260-30-7
Catalog Number:
AG003F3R
Molecular Formula:
C8H7NOS
Molecular Weight:
165.2123
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG003F3R
Chemical Name:
2-(Methylthio)phenyl isocyanate
CAS Number:
52260-30-7
Molecular Formula:
C8H7NOS
Molecular Weight:
165.2123
MDL Number:
MFCD00037076
IUPAC Name:
1-isocyanato-2-methylsulfanylbenzene
InChI:
InChI=1S/C8H7NOS/c1-11-8-5-3-2-4-7(8)9-6-10/h2-5H,1H3
InChI Key:
WQXASSKJZYKJSI-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccccc1SC
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.025g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.21g/mol
Monoisotopic Mass:
165.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties