Home Other Building Blocks 2-Methylbenzyl isothiocyanate

2-Methylbenzyl isothiocyanate

CAS No.:
16735-69-6
Catalog Number:
AG001XB8
Molecular Formula:
C9H9NS
Molecular Weight:
163.2395
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
99%
1 week
United States
$205
- +
5g
99%
1 week
United States
$705
- +
Product Description
Catalog Number:
AG001XB8
Chemical Name:
2-Methylbenzyl isothiocyanate
CAS Number:
16735-69-6
Molecular Formula:
C9H9NS
Molecular Weight:
163.2395
MDL Number:
MFCD00060404
IUPAC Name:
1-(isothiocyanatomethyl)-2-methylbenzene
InChI:
InChI=1S/C9H9NS/c1-8-4-2-3-5-9(8)6-10-7-11/h2-5H,6H2,1H3
InChI Key:
DOOUOZZRRNTUCQ-UHFFFAOYSA-N
SMILES:
S=C=NCc1ccccc1C
Properties
Complexity:
161  
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:
3.6  
Properties