1,3,4-Thiadiazole-2(3H)-thione, 5-methyl-


Chemical Name: 1,3,4-Thiadiazole-2(3H)-thione, 5-methyl-
CAS Number: 29490-19-5
Product Number: AG00I5GL(AGN-PC-0K9AXR)
Synonyms:
MDL No:
Molecular Formula: C3H4N2S2
Molecular Weight: 132.2073

Identification/Properties


Computed Properties
Molecular Weight:
132.199g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
131.982g/mol
Monoisotopic Mass:
131.982g/mol
Topological Polar Surface Area:
81.8A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
129
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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