Home Nitros Isopropyl(2-nitrophenyl)sulfane

Isopropyl(2-nitrophenyl)sulfane

CAS No.:
70415-85-9
Catalog Number:
AG00IC25
Molecular Formula:
C9H11NO2S
Molecular Weight:
197.2541
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$213
- +
1g
95%
1 week
United States
$477
- +
Product Description
Catalog Number:
AG00IC25
Chemical Name:
Isopropyl(2-nitrophenyl)sulfane
CAS Number:
70415-85-9
Molecular Formula:
C9H11NO2S
Molecular Weight:
197.2541
MDL Number:
MFCD13689000
IUPAC Name:
1-nitro-2-propan-2-ylsulfanylbenzene
InChI:
InChI=1S/C9H11NO2S/c1-7(2)13-9-6-4-3-5-8(9)10(11)12/h3-7H,1-2H3
InChI Key:
WRFYXBKJHZAUTO-UHFFFAOYSA-N
SMILES:
CC(Sc1ccccc1[N+](=O)[O-])C
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.051g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.252g/mol
Monoisotopic Mass:
197.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties