5H-Tetrazole-5-thione, 1,2-dihydro-1-methyl-


Chemical Name: 5H-Tetrazole-5-thione, 1,2-dihydro-1-methyl-
CAS Number: 13183-79-4
Product Number: AG003EIA(AGN-PC-07Y503)
Synonyms:
MDL No: MFCD00037317
Molecular Formula: C2H4N4S
Molecular Weight: 116.1450

Identification/Properties


Properties
MP:
125-128 °C(lit.)
BP:
111.6±23.0°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Stability:
Air Sensitive
Refractive Index:
1.5605 (estimate)
Computed Properties
Molecular Weight:
116.142g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
116.016g/mol
Monoisotopic Mass:
116.016g/mol
Topological Polar Surface Area:
72.1A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
119
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:
Danger
UN#:
1325
Hazard Statements:
H315-H319-H228
Precautionary Statements:
P240-P210-P241-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313
Class:
4.1
Packing Group:

NMR Spectrum


Other Analytical Data


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