Home Nitros 1,1-Bis(methylthio)-2-nitroethylene

1,1-Bis(methylthio)-2-nitroethylene

CAS No.:
13623-94-4
Catalog Number:
AG0032JP
Molecular Formula:
C4H7NO2S2
Molecular Weight:
165.2339
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$19
- +
10g
95%
In Stock USA
United States
$32
- +
25g
95%
In Stock USA
United States
$63
- +
100g
98%(HPLC)
In Stock USA
United States
$228
- +
Product Description
Catalog Number:
AG0032JP
Chemical Name:
1,1-Bis(methylthio)-2-nitroethylene
CAS Number:
13623-94-4
Molecular Formula:
C4H7NO2S2
Molecular Weight:
165.2339
MDL Number:
MFCD00010443
IUPAC Name:
1,1-bis(methylsulfanyl)-2-nitroethene
InChI:
InChI=1S/C4H7NO2S2/c1-8-4(9-2)3-5(6)7/h3H,1-2H3
InChI Key:
NXGHEDHQXXXTTP-UHFFFAOYSA-N
SMILES:
CSC(=C[N+](=O)[O-])SC
EC Number:
237-108-4
NSC Number:
241513
Properties
Complexity:
123  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.992g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.225g/mol
Monoisotopic Mass:
164.992g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Nitroketene acetal chemistry. 3. Facile synthesis of nitroacetic acid triarylmethyl ortho esters from 1,1-di(methylsulfanyl)-2-nitroethylene. The Journal of organic chemistry 20050527
Properties