Home Nitros Methyl(3-nitrobenzyl)sulfane

Methyl(3-nitrobenzyl)sulfane

CAS No.:
51392-54-2
Catalog Number:
AG00I973
Molecular Formula:
C8H9NO2S
Molecular Weight:
183.2276
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$41
- +
250mg
95%
In Stock USA
United States
$76
- +
1g
95%
In Stock USA
United States
$152
- +
5g
95%
In Stock USA
United States
$454
- +
Product Description
Catalog Number:
AG00I973
Chemical Name:
Methyl(3-nitrobenzyl)sulfane
CAS Number:
51392-54-2
Molecular Formula:
C8H9NO2S
Molecular Weight:
183.2276
MDL Number:
MFCD29059356
IUPAC Name:
1-(methylsulfanylmethyl)-3-nitrobenzene
InChI:
InChI=1S/C8H9NO2S/c1-12-6-7-3-2-4-8(5-7)9(10)11/h2-5H,6H2,1H3
InChI Key:
RVUYCFUSWBGCKF-UHFFFAOYSA-N
SMILES:
CSCc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.035g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.225g/mol
Monoisotopic Mass:
183.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties