Home Halogens 1-[(4-bromothiophen-2-yl)methyl]-1H-pyrazol-5-amine

1-[(4-bromothiophen-2-yl)methyl]-1H-pyrazol-5-amine

CAS No.:
956453-87-5
Catalog Number:
AG019NUT
Molecular Formula:
C8H8BrN3S
Molecular Weight:
258.1382
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Product Description
Catalog Number:
AG019NUT
Chemical Name:
1-[(4-bromothiophen-2-yl)methyl]-1H-pyrazol-5-amine
CAS Number:
956453-87-5
Molecular Formula:
C8H8BrN3S
Molecular Weight:
258.1382
MDL Number:
MFCD06378269
IUPAC Name:
2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-amine
InChI:
InChI=1S/C8H8BrN3S/c9-6-3-7(13-5-6)4-12-8(10)1-2-11-12/h1-3,5H,4,10H2
InChI Key:
KOFJYJNUNPWSOC-UHFFFAOYSA-N
SMILES:
Brc1csc(c1)Cn1nccc1N
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.962g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
258.137g/mol
Monoisotopic Mass:
256.962g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties