3-Methyl-6-(methylthio)-1,3,5-triazine-2,4(1H,3H)-dione - CAS 40943-34-8
Catalog: |
BB058971 |
Product Name: |
3-Methyl-6-(methylthio)-1,3,5-triazine-2,4(1H,3H)-dione |
CAS: |
40943-34-8 |
Synonyms: |
3-Methyl-6-(methylsulfanyl)-1,2,3,4-tetrahydro-1,3,5-triazine-2,4-dione;3-Methyl-6-methylthio-s-triazine-2,4(1H,3H)-dione |
IUPAC Name: | 3-methyl-6-methylsulfanyl-1H-1,3,5-triazine-2,4-dione |
Description: | 3-Methyl-6-(methylthio)-1,3,5-triazine-2,4(1H,3H)-dione is an intermediate in the synthesis of 6-(tert-Butylamino)-3-methyl-1,3,5-triazine-2,4(1H,3H)-dione (B185960), a metabolite of Terbuthylazine (T110500) a triazine herbicide. |
Molecular Weight: | 173.19 |
Molecular Formula: | C5H7N3O2S |
Canonical SMILES: | CN1C(=O)NC(=NC1=O)SC |
InChI: | InChI=1S/C5H7N3O2S/c1-8-4(9)6-3(11-2)7-5(8)10/h1-2H3,(H,6,7,9,10) |
InChI Key: | NHOUNTPDGFGWGU-UHFFFAOYSA-N |
References: | Schenck, F., et al. Bull Environ. Contam. Toxicol., 73, 24 (2004),. |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
DE-2263805-A1 | PROCEDURES FOR MODIFYING FLOWERING AND / OR GENDER PROPERTY OF PLANTS | 19721030 |
US-3951971-A | 1,3,5-Triazinediones | 19721030 |
US-3973947-A | 1,3,5-Triazinediones and their use as selective herbicides | 19721030 |
Complexity: | 238 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.02589765 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.02589765 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 87.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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