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1269291-44-2

1269291-44-2 | 1H-Pyrazole, 1-(1,1-dimethylethyl)-5-(3-thienyl)-

CAS No: 1269291-44-2 Catalog No: AG000THW MDL No:MFCD20275407

Product Description

Catalog Number:
AG000THW
Chemical Name:
1H-Pyrazole, 1-(1,1-dimethylethyl)-5-(3-thienyl)-
CAS Number:
1269291-44-2
Molecular Formula:
C11H14N2S
Molecular Weight:
206.3073
MDL Number:
MFCD20275407
IUPAC Name:
1-tert-butyl-5-thiophen-3-ylpyrazole
InChI:
InChI=1S/C11H14N2S/c1-11(2,3)13-10(4-6-12-13)9-5-7-14-8-9/h4-8H,1-3H3
InChI Key:
MVKSWLITOCOICU-UHFFFAOYSA-N
SMILES:
CC(n1nccc1c1cscc1)(C)C

Properties

Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.088g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.307g/mol
Monoisotopic Mass:
206.088g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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