Home Other Building Blocks 3-methanesulfinyl-4H-1,2,4-triazole

3-methanesulfinyl-4H-1,2,4-triazole

CAS No.:
1258639-46-1
Catalog Number:
AG01DUBR
Molecular Formula:
C3H5N3OS
Molecular Weight:
131.1563
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Product Description
Catalog Number:
AG01DUBR
Chemical Name:
3-methanesulfinyl-4H-1,2,4-triazole
CAS Number:
1258639-46-1
Molecular Formula:
C3H5N3OS
Molecular Weight:
131.1563
MDL Number:
MFCD18783028
IUPAC Name:
5-methylsulfinyl-1H-1,2,4-triazole
InChI:
InChI=1S/C3H5N3OS/c1-8(7)3-4-2-5-6-3/h2H,1H3,(H,4,5,6)
InChI Key:
UOMCXNNOJBMXTJ-UHFFFAOYSA-N
SMILES:
CS(=O)c1nnc[nH]1
Properties
Complexity:
107  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.015g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
131.153g/mol
Monoisotopic Mass:
131.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties