Home Other Building Blocks 4-METHYLBENZYL ISOTHIOCYANATE

4-METHYLBENZYL ISOTHIOCYANATE

CAS No.:
3694-46-0
Catalog Number:
AG003LRJ
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
99%
1 week
United States
$55
- +
5g
99%
1 week
United States
$105
- +
25g
99%
1 week
United States
$238
- +
Product Description
Catalog Number:
AG003LRJ
Chemical Name:
4-METHYLBENZYL ISOTHIOCYANATE
CAS Number:
3694-46-0
MDL Number:
MFCD00041118
IUPAC Name:
1-(isothiocyanatomethyl)-4-methylbenzene
InChI:
InChI=1S/C9H9NS/c1-8-2-4-9(5-3-8)6-10-7-11/h2-5H,6H2,1H3
InChI Key:
OAXIUBJXQISJEV-UHFFFAOYSA-N
NSC Number:
221231
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.046g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.238g/mol
Monoisotopic Mass:
163.046g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties