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Home > Nitro Compounds > 6937-35-5
6937-35-5 | Thiophene,2-(2-nitro-1-propen-1-yl)-
CAS No: 6937-35-5 Catalog No: AG005N8H MDL No:
Product Description
Catalog Number:
AG005N8H
Chemical Name:
Thiophene,2-(2-nitro-1-propen-1-yl)-
CAS Number:
6937-35-5
Molecular Formula:
C7H7NO2S
Molecular Weight:
169.2010
IUPAC Name:
2-[(E)-2-nitroprop-1-enyl]thiophene
InChI:
InChI=1S/C7H7NO2S/c1-6(8(9)10)5-7-3-2-4-11-7/h2-5H,1H3/b6-5+
InChI Key:
HMPLFCAOIJOKGX-AATRIKPKSA-N
SMILES:
[O-][N+](=O)C(=Cc1cccs1)C
NSC Number:
42524
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
169.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.198g/mol
Monoisotopic Mass:
169.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Massive screening yields novel and selective Trypanosoma cruzi triosephosphate isomerase dimer-interface-irreversible inhibitors with anti-trypanosomal activity. | European journal of medicinal chemistry 20101201 |
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