2,4-bis(dichloromethyl)-6-methylsulfanyl-1,3,5-triazine

C6H5Cl4N3S — CID 21690

IUPAC2,4-bis(dichloromethyl)-6-methylsulfanyl-1,3,5-triazine
SMILESCSc1nc(C(Cl)Cl)nc(C(Cl)Cl)n1
InChIInChI=1S/C6H5Cl4N3S/c1-14-6-12-4(2(7)8)11-5(13-6)3(9)10/h2-3H,1H3
InChIKeyZYVGXASMURAPJP-UHFFFAOYSA-N
MW293.01 g/mol
LogP3.55
Rot. Bonds3

About 2,4-bis(dichloromethyl)-6-methylsulfanyl-1,3,5-triazine

2,4-bis(dichloromethyl)-6-methylsulfanyl-1,3,5-triazine (PubChem CID 21690) has the molecular formula C6H5Cl4N3S and a molecular weight of 293.01 g/mol. Its IUPAC name is 2,4-bis(dichloromethyl)-6-methylsulfanyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(dichloromethyl)-6-methylsulfanyl-1,3,5-triazine
PubChem CID21690
Molecular FormulaC6H5Cl4N3S
Molecular Weight293.01 g/mol
Exact Mass290.90
IUPAC Name2,4-bis(dichloromethyl)-6-methylsulfanyl-1,3,5-triazine
SMILESCSc1nc(C(Cl)Cl)nc(C(Cl)Cl)n1
InChIInChI=1S/C6H5Cl4N3S/c1-14-6-12-4(2(7)8)11-5(13-6)3(9)10/h2-3H,1H3
InChIKeyZYVGXASMURAPJP-UHFFFAOYSA-N
XLogP3.55
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.01
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(dichloromethyl)-6-methylsulfanyl-1,3,5-triazine?
The IUPAC name of 2,4-bis(dichloromethyl)-6-methylsulfanyl-1,3,5-triazine (CID 21690) is 2,4-bis(dichloromethyl)-6-methylsulfanyl-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(dichloromethyl)-6-methylsulfanyl-1,3,5-triazine?
The canonical SMILES for 2,4-bis(dichloromethyl)-6-methylsulfanyl-1,3,5-triazine is CSc1nc(C(Cl)Cl)nc(C(Cl)Cl)n1.
What is the InChIKey of 2,4-bis(dichloromethyl)-6-methylsulfanyl-1,3,5-triazine?
The InChIKey is ZYVGXASMURAPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl4N3S/c1-14-6-12-4(2(7)8)11-5(13-6)3(9)10/h2-3H,1H3.
What are the key properties of 2,4-bis(dichloromethyl)-6-methylsulfanyl-1,3,5-triazine?
2,4-bis(dichloromethyl)-6-methylsulfanyl-1,3,5-triazine has a molecular weight of 293.01 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(dichloromethyl)-6-methylsulfanyl-1,3,5-triazine is sourced from PubChem (CID 21690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).