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Home Other Building Blocks Benzene, 2-isothiocyanato-1,3-dimethyl-

Benzene, 2-isothiocyanato-1,3-dimethyl-

CAS No.:
19241-16-8
Catalog Number:
AG002FXD
Molecular Formula:
C9H9NS
Molecular Weight:
163.2395
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$41
- +
5g
98%
In Stock USA
United States
$65
- +
25g
98%
In Stock USA
United States
$160
- +
100g
98%
In Stock USA
United States
$504
- +
Product Description
Catalog Number:
AG002FXD
Chemical Name:
Benzene, 2-isothiocyanato-1,3-dimethyl-
CAS Number:
19241-16-8
Molecular Formula:
C9H9NS
Molecular Weight:
163.2395
MDL Number:
MFCD00038715
IUPAC Name:
2-isothiocyanato-1,3-dimethylbenzene
InChI:
InChI=1S/C9H9NS/c1-7-4-3-5-8(2)9(7)10-6-11/h3-5H,1-2H3
InChI Key:
UULUECCNPPJFBU-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(C)cccc1C
EC Number:
242-906-0
UNII:
TIM0LV0QKN
NSC Number:
172978
Properties
Complexity:
162  
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:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Literature
Title Journal
Imidazolin-2-iminato complexes of rare earth metals with very short metal-nitrogen bonds: experimental and theoretical studies. Inorganic chemistry 20090615
Inhibitors of calling behavior of Plodia interpunctella. Journal of insect science (Online) 20030101
Properties