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4-(dimethoxymethyl)-2-(methylsulfanyl)pyrimidine - 97%, high purity , CAS No.180869-36-7
Basic Description
Synonyms
180869-36-7 | 4-(dimethoxymethyl)-2-(methylthio)pyrimidine | 4-(dimethoxymethyl)-2-(methylsulfanyl)pyrimidine | 4-(Dimethoxymethyl)-2-(methylthio)-pyrimidine | 4-(dimethoxymethyl)-2-methylsulfanylpyrimidine | Pyrimidine, 4-(dimethoxymethyl)-2-(methylthio)- | 2-methyl
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organosulfur compounds
Class
Thioethers
Subclass
Aryl thioethers
Intermediate Tree Nodes
Not available
Direct Parent
Aryl thioethers
Alternative Parents
Alkylarylthioethers Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl thioether - Alkylarylthioether - Pyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
488198888
IUPAC Name
4-(dimethoxymethyl)-2-methylsulfanylpyrimidine
INCHI
InChI=1S/C8H12N2O2S/c1-11-7(12-2)6-4-5-9-8(10-6)13-3/h4-5,7H,1-3H3
InChIKey
PTYFBMBIEDVSIA-UHFFFAOYSA-N
Smiles
COC(C1=NC(=NC=C1)SC)OC
Isomeric SMILES
COC(C1=NC(=NC=C1)SC)OC
Molecular Weight
200.26
Reaxy-Rn
8055290
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8055290&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
200.260 g/mol
XLogP3
0.700
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
4
Exact Mass
200.062 Da
Monoisotopic Mass
200.062 Da
Topological Polar Surface Area
69.500 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
144.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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F23141396