2-chloro-4-methoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazine

C7H10ClN3O2S — CID 62858857

IUPAC2-chloro-4-methoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazine
SMILESCOCCSc1nc(Cl)nc(OC)n1
InChIInChI=1S/C7H10ClN3O2S/c1-12-3-4-14-7-10-5(8)9-6(11-7)13-2/h3-4H2,1-2H3
InChIKeyBSDUTWHFPJAYSX-UHFFFAOYSA-N
MW235.70 g/mol
LogP1.27
Rot. Bonds5

About 2-chloro-4-methoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazine

2-chloro-4-methoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazine (PubChem CID 62858857) has the molecular formula C7H10ClN3O2S and a molecular weight of 235.70 g/mol. Its IUPAC name is 2-chloro-4-methoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-methoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazine
PubChem CID62858857
Molecular FormulaC7H10ClN3O2S
Molecular Weight235.70 g/mol
Exact Mass235.02
IUPAC Name2-chloro-4-methoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazine
SMILESCOCCSc1nc(Cl)nc(OC)n1
InChIInChI=1S/C7H10ClN3O2S/c1-12-3-4-14-7-10-5(8)9-6(11-7)13-2/h3-4H2,1-2H3
InChIKeyBSDUTWHFPJAYSX-UHFFFAOYSA-N
XLogP1.27
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.70
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-methoxy-6-(3-methylbutylsulfanyl)-1,3,5-triazine
CID 107751314
4-methoxy-6-(2-methoxyethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine
CID 80883876
4-chloro-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine
CID 80889976
2-chloro-4-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethoxy]-6-methoxy-1,3,5-triazine
CID 14177471
2-(2-methoxyethylsulfanyl)-4,6-dimethylpyrimidine
CID 4204325
2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]ethanamine
CID 94830323
2-chloro-4-(2-methoxyethylsulfanyl)quinazoline
CID 62476840
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]butan-1-ol
CID 66138340
4-ethoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazin-2-amine
CID 80884039
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4,5-dimethyl-1,3-oxazole
CID 106923542
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]butan-2-ol
CID 107770967
2-chloro-4-methoxy-6-pyrimidin-4-ylsulfanyl-1,3,5-triazine
CID 63698168

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-methoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazine (CID 62858857) is 2-chloro-4-methoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-methoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-methoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazine is COCCSc1nc(Cl)nc(OC)n1.
What is the InChIKey of 2-chloro-4-methoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazine?
The InChIKey is BSDUTWHFPJAYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2S/c1-12-3-4-14-7-10-5(8)9-6(11-7)13-2/h3-4H2,1-2H3.
What are the key properties of 2-chloro-4-methoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazine?
2-chloro-4-methoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazine has a molecular weight of 235.70 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazine is sourced from PubChem (CID 62858857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).