200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 2080-45-7
2080-45-7 | 1,3-Dithiolane, 2-(nitromethylene)-
CAS No: 2080-45-7 Catalog No: AG002JFP MDL No:
Product Description
Catalog Number:
AG002JFP
Chemical Name:
1,3-Dithiolane, 2-(nitromethylene)-
CAS Number:
2080-45-7
Molecular Formula:
C4H5NO2S2
Molecular Weight:
163.2180
IUPAC Name:
2-(nitromethylidene)-1,3-dithiolane
InChI:
InChI=1S/C4H5NO2S2/c6-5(7)3-4-8-1-2-9-4/h3H,1-2H2
InChI Key:
XMZJJLHHTJLEMK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C=C1SCCS1
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.976g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.209g/mol
Monoisotopic Mass:
162.976g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.