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Home > Nitro Compounds > 13623-94-4
13623-94-4 | 1,1-Bis(methylthio)-2-nitroethylene
CAS No: 13623-94-4 Catalog No: AG0032JP MDL No:MFCD00010443
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 |
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