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1024595-27-4 | 3-methyl-4-(thiophen-2-yl)-1H-pyrazol-5-amine
CAS No: 1024595-27-4 Catalog No: AG01FLUA MDL No:MFCD05863682
Product Description
Catalog Number:
AG01FLUA
Chemical Name:
3-methyl-4-(thiophen-2-yl)-1H-pyrazol-5-amine
CAS Number:
1024595-27-4
Molecular Formula:
C8H9N3S
Molecular Weight:
179.2422
MDL Number:
MFCD05863682
IUPAC Name:
5-methyl-4-thiophen-2-yl-1H-pyrazol-3-amine
InChI:
InChI=1S/C8H9N3S/c1-5-7(8(9)11-10-5)6-3-2-4-12-6/h2-4H,1H3,(H3,9,10,11)
InChI Key:
LTNSHOVGLDMJRU-UHFFFAOYSA-N
SMILES:
Cc1n[nH]c(c1c1cccs1)N
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.052g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.241g/mol
Monoisotopic Mass:
179.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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