Home Other Building Blocks 5-(3-methylthiophen-2-yl)-4H-1,2,4-triazol-3-amine

5-(3-methylthiophen-2-yl)-4H-1,2,4-triazol-3-amine

CAS No.:
1016690-26-8
Catalog Number:
AG01AACX
Molecular Formula:
C7H8N4S
Molecular Weight:
180.2302
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Product Description
Catalog Number:
AG01AACX
Chemical Name:
5-(3-methylthiophen-2-yl)-4H-1,2,4-triazol-3-amine
CAS Number:
1016690-26-8
Molecular Formula:
C7H8N4S
Molecular Weight:
180.2302
MDL Number:
MFCD09929627
IUPAC Name:
5-(3-methylthiophen-2-yl)-1H-1,2,4-triazol-3-amine
InChI:
InChI=1S/C7H8N4S/c1-4-2-3-12-5(4)6-9-7(8)11-10-6/h2-3H,1H3,(H3,8,9,10,11)
InChI Key:
WSHJPDAKYRINDX-UHFFFAOYSA-N
SMILES:
Cc1ccsc1c1nnc([nH]1)N
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.047g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
180.229g/mol
Monoisotopic Mass:
180.047g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
95.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties