1,3,4-Thiadiazole-2(3H)-thione, 5-[(phenylmethyl)thio]-


Chemical Name: 1,3,4-Thiadiazole-2(3H)-thione, 5-[(phenylmethyl)thio]-
CAS Number: 4858-36-0
Product Number: AG006WPG(AGN-PC-0OAVEE)
Synonyms:
MDL No:
Molecular Formula: C9H8N2S3
Molecular Weight: 240.3682

Identification/Properties


Properties
MP:
137-139℃
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
240.357g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
239.985g/mol
Monoisotopic Mass:
239.985g/mol
Topological Polar Surface Area:
107A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
246
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

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NMR Spectrum


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