Home Other Building Blocks 1-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione

1-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione

CAS No.:
32362-75-7
Catalog Number:
AG01A6T2
Molecular Formula:
C3H5N3S
Molecular Weight:
115.1569
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Product Description
Catalog Number:
AG01A6T2
Chemical Name:
1-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione
CAS Number:
32362-75-7
Molecular Formula:
C3H5N3S
Molecular Weight:
115.1569
MDL Number:
MFCD01678465
IUPAC Name:
2-methyl-1H-1,2,4-triazole-3-thione
InChI:
InChI=1S/C3H5N3S/c1-6-3(7)4-2-5-6/h2H,1H3,(H,4,5,7)
InChI Key:
PSCNKLHSBAUYBP-UHFFFAOYSA-N
SMILES:
Cn1nc[nH]c1=S
Properties
Complexity:
119  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.02g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
115.154g/mol
Monoisotopic Mass:
115.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties