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26584-42-9 | 1,3,4-Thiadiazole, 2-methyl-
CAS No: 26584-42-9 Catalog No: AG002TRI MDL No:
Product Description
Catalog Number:
AG002TRI
Chemical Name:
1,3,4-Thiadiazole, 2-methyl-
CAS Number:
26584-42-9
Molecular Formula:
C3H4N2S
Molecular Weight:
100.1423
IUPAC Name:
2-methyl-1,3,4-thiadiazole
InChI:
InChI=1S/C3H4N2S/c1-3-5-4-2-6-3/h2H,1H3
InChI Key:
RQSCFNPNNLWQBJ-UHFFFAOYSA-N
SMILES:
Cc1nncs1
Properties
Complexity:
48.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.01g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
100.139g/mol
Monoisotopic Mass:
100.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Discovery of adamantyl heterocyclic ketones as potent 11β-hydroxysteroid dehydrogenase type 1 inhibitors. | ChemMedChem 20110801 |
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