6-(Methylthio)-1,3,5-triazine-2,4-diamine
Basic information
- CAS
5397-01-3- Standard SMILES
CSc1nc(N)nc(N)n1- InChIKey
SFPNVVXUUHYBQW-UHFFFAOYSA-N- Molecular formula
- C4H7N5S
- Average molar mass
- 157.2 g/mol
- Monoisotopic mass
- 157.04221642
Overview
6-(methylthio)-1,3,5-triazine-2,4-diamine is a methylthio-1,3,5-triazine. It is functionally related to a 2-(methylthio)-1,3,5-triazine.
Names & identifiers
- Preferred name
- 6-(Methylthio)-1,3,5-triazine-2,4-diamine
- IUPAC
- 6-methylsulfanyl-1,3,5-triazine-2,4-diamine
- English name
- 2-(Methylthio)-4,6-diamino-1,3,5-triazine
- Molecular formula
- C4H7N5S
- Molecular weight
- 157.2
Names & synonyms
6-(Methylthio)-1,3,5-triazine-2,4-diamine5397-01-32-(Methylthio)-4,6-diamino-1,3,5-triazine6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine9STD5UJ7EANSC-4419UNII-9STD5UJ7EA6-(Methylthio)-2,4-diamino-S-triazineGS-26831CHEBI:38928NSC 4419AI3-22166
Show more names
Ametryn Impurity 3 (GS 26831)6-(Methylthio)-1,3,5-triazine-2,4-diaMine (GS 26831)
A-1404S-TRIAZINE, 2,4-DIAMINO-6-(METHYLTHIO)-RefChem:1040986-methylsulfanyl-1,3,5-triazine-2,4-diamineNSC44191,3,5-Triazine-2,4-diamine, 6-(methylthio)-Desethyl-DeisopropylametryneCHEMBL115646
Database identifiers
- CAS
5397-01-3- PubChem CID
- 21497
- DTXSID
DTXSID50202259- ChEMBL
CHEMBL115646- ChEBI
CHEBI:38928- UNII
- 9STD5UJ7EA
- Nikkaji
- J540.653F
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 99.8
Physicochemical properties
- FDA UNII
- 9 STD5UJ7EA · 9STD5UJ7EA
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: 6-(methylthio)-1,3,5-triazine-2,4-diamine is a methylthio-1,3,5-triazine. It is functionally related to a 2-(methylthio)-1,3,5-triazine.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…