| CAS Number | 84582-90-1 |
| Catalog Number | AG00GALN(AGN-PC-00JSFT) |
| Chemical Name | 3,5-Bis(methylthio)-1,2,4-triazin-6-amine |
| IUPAC Name | 3,5-bis(methylsulfanyl)-1,2,4-triazin-6-amine |
| InChI | InChI=1S/C5H8N4S2/c1-10-4-3(6)8-9-5(7-4)11-2/h1-2H3,(H2,6,8) |
| InChI Key | IBOKEQFMMUALBP-UHFFFAOYSA-N |
| MDL Number | MFCD20690876 |
| Molecular Formula | C5H8N4S2 |
| Molecular Weight | 188.2738 |
| SMILES | CSC1=NN=C(N)C(SC)=N1 |
| Synonyms | 3,5-Bis(methylthio)-1,2,4-triazin-6-amine,
84582-90-1,
1,2,4-Triazin-6-amine, 3,5-bis(methylthio)-,
SCHEMBL10753654,
MFCD20690876,
ZINC39317316,
AS-54794,
3,5-Bis(methylthio)-1,2,4-triazine-6-amine,
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| Complexity | 123 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.267g/mol |
| Monoisotopic Mass | 188.019g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 115A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number