Home Nitro Compounds 42137-23-5
42137-23-5,MFCD00052580
Catalog No.:AA003HQI
42137-23-5 | 5-Nitrothiophene-3-carbonitrile
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250mg
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Technical Information
Catalog Number:
AA003HQI
Chemical Name:
5-Nitrothiophene-3-carbonitrile
CAS Number:
42137-23-5
Molecular Formula:
C5H2N2O2S
Molecular Weight:
154.1466
MDL Number:
MFCD00052580
IUPAC Name:
5-nitrothiophene-3-carbonitrile
InChI:
InChI=1S/C5H2N2O2S/c6-2-4-1-5(7(8)9)10-3-4/h1,3H
InChI Key:
NACMZLGGHMPMKQ-UHFFFAOYSA-N
SMILES:
N#Cc1csc(c1)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.984g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.143g/mol
Monoisotopic Mass:
153.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
97.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Synonyms
 
5-nitrothiophene-3-carbonitrile 
2-Nitrothiophene-4-carbonitrile 
5-Nitro-3-thiophenecarbonitrile 
CTK1D6461 
HMS550F15 
NACMZLGGHMPMKQ-UHFFFAOYSA- 
DTXSID60276385 
NACMZLGGHMPMKQ-UHFFFAOYSA-N 
ZINC143162 
5-Nitro-3-thiophenecarbonitrile # 
KS-00002A5K 
3057AE 
42137-23-5 
DFP 00020 
SBB086992 
AKOS009158333 
MCULE-7044450742 
PS-4327 
QC-6756 
5-NITRO-THIOPHENE-3-CARBONITRILE 
AB1006737 
TC-170369 
FT-0613224 
4-Cyano-2-nitrothiophene 
ST50411451 
I14-100801 
InChI=1/C5H2N2O2S/c6-2-4-1-5(7(8)9)10-3-4/h1,3H 
5-Nitro-3-thiophenecarbonitrile; 2-Nitro-4-cyanothiophene; 2-Cyano-4-nitrothiophene 
C5H2N2O2S 
4-nitro-2-thiophenecarbonitrile 
4-nitrothiophene-2-carbonitrile 
CID142579 
ZINC00143162 
42137-24-6 
MFCD00052580 
ACMC-1AOGV 
AC1L3LEF 
Maybridge1_003117 
2-Nitro-4-cyanothiophene 
SCHEMBL9168884 
Literature
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