Methiotriazamine
Basic information
- CAS
90-07-3- Standard SMILES
CSc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1- InChIKey
GYXWUBHCYWWAOK-UHFFFAOYSA-N- Molecular formula
- C12H17N5S
- Average molar mass
- 263.36 g/mol
- Monoisotopic mass
- 263.12046674
Names & identifiers
- Preferred name
- Methiotriazamine
- IUPAC
- 6,6-dimethyl-1-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine
Names & synonyms
METHIOTRIAZAMINEUNII-RZN339905690-07-3NSC 19733RZN3399056WIN-7719 BASEDTXSID60237976NSC-197331,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-(methylthio)phenyl)-1,6-DIHYDRO-6,6-DIMETHYL-1-(4-(METHYLTHIO)PHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-[4-(methylthio)phenyl]-RefChem:157021
Show more names
DTXCID10160467CHEMBL174107NSC197336,6-dimethyl-1-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamineBDBM504077266,6-dimethyl-1-[4-(methylsulfanyl)phenyl]-1,6-dihydro-1,3,5-triazine-2,4-diamineQ27288362[4-amino-6,6-dimethyl-1-(4-methylsulfanyl-phenyl)-1H-[1,3,5]triazin-2-yl]-amine
Database identifiers
- CAS
90-07-3- PubChem CID
- 22401
- DTXSID
DTXSID60237976- ChEMBL
CHEMBL174107- UNII
- RZN3399056
- Nikkaji
- J238.620H
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 369
Experimental & physicochemical properties
LogP0.08
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Related reactions
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Compound notes
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