Home Aldehydes 3-(thiophen-3-yl)-1H-pyrazole-4-carbaldehyde

3-(thiophen-3-yl)-1H-pyrazole-4-carbaldehyde

CAS No.:
1249172-47-1
Catalog Number:
AG018RYC
Molecular Formula:
C8H6N2OS
Molecular Weight:
178.2110
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Product Description
Catalog Number:
AG018RYC
Chemical Name:
3-(thiophen-3-yl)-1H-pyrazole-4-carbaldehyde
CAS Number:
1249172-47-1
Molecular Formula:
C8H6N2OS
Molecular Weight:
178.2110
MDL Number:
MFCD16671363
IUPAC Name:
5-thiophen-3-yl-1H-pyrazole-4-carbaldehyde
InChI:
InChI=1S/C8H6N2OS/c11-4-7-3-9-10-8(7)6-1-2-12-5-6/h1-5H,(H,9,10)
InChI Key:
LVHIWROIPVTAQF-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]nc1c1cscc1
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.02g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.209g/mol
Monoisotopic Mass:
178.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties