4-METHYL-5-(THIEN-2-YLMETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL


Chemical Name: 4-METHYL-5-(THIEN-2-YLMETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL
CAS Number: 667435-87-2
Product Number: AG00FBSP(AGN-PC-0OFVGP)
Synonyms:
MDL No:
Molecular Formula: C8H9N3S2
Molecular Weight: 211.3072

Identification/Properties


Computed Properties
Molecular Weight:
211.301g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
211.024g/mol
Monoisotopic Mass:
211.024g/mol
Topological Polar Surface Area:
88A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
252
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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