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1269292-87-6 | 1H-Pyrazole, 1-methyl-5-(3-thienyl)-
CAS No: 1269292-87-6 Catalog No: AG000TK8 MDL No:MFCD20275408
Product Description
Catalog Number:
AG000TK8
Chemical Name:
1H-Pyrazole, 1-methyl-5-(3-thienyl)-
CAS Number:
1269292-87-6
Molecular Formula:
C8H8N2S
Molecular Weight:
164.2275
MDL Number:
MFCD20275408
IUPAC Name:
1-methyl-5-thiophen-3-ylpyrazole
InChI:
InChI=1S/C8H8N2S/c1-10-8(2-4-9-10)7-3-5-11-6-7/h2-6H,1H3
InChI Key:
XRWDQVRBGPLPSQ-UHFFFAOYSA-N
SMILES:
Cn1nccc1c1ccsc1
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.041g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.226g/mol
Monoisotopic Mass:
164.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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