Home Other Building Blocks 4-methyl-3-(thiophen-2-yl)-4H-1,2,4-triazole

4-methyl-3-(thiophen-2-yl)-4H-1,2,4-triazole

CAS No.:
1541119-53-2
Catalog Number:
AG01EHRU
Molecular Formula:
C7H7N3S
Molecular Weight:
165.2156
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Product Description
Catalog Number:
AG01EHRU
Chemical Name:
4-methyl-3-(thiophen-2-yl)-4H-1,2,4-triazole
CAS Number:
1541119-53-2
Molecular Formula:
C7H7N3S
Molecular Weight:
165.2156
MDL Number:
MFCD24197173
IUPAC Name:
4-methyl-3-thiophen-2-yl-1,2,4-triazole
InChI:
InChI=1S/C7H7N3S/c1-10-5-8-9-7(10)6-3-2-4-11-6/h2-5H,1H3
InChI Key:
CYUUJHZUSGWPBJ-UHFFFAOYSA-N
SMILES:
Cn1cnnc1c1cccs1
Properties
Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.036g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.214g/mol
Monoisotopic Mass:
165.036g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties