2-ethylsulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine

C7H5Cl6N3S — CID 21687

IUPAC2-ethylsulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine
SMILESCCSc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C7H5Cl6N3S/c1-2-17-5-15-3(6(8,9)10)14-4(16-5)7(11,12)13/h2H2,1H3
InChIKeyGXCJDHJIPHAPGL-UHFFFAOYSA-N
MW375.92 g/mol
LogP4.64
Rot. Bonds2

About 2-ethylsulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine

2-ethylsulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine (PubChem CID 21687) has the molecular formula C7H5Cl6N3S and a molecular weight of 375.92 g/mol. Its IUPAC name is 2-ethylsulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-ethylsulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine
PubChem CID21687
Molecular FormulaC7H5Cl6N3S
Molecular Weight375.92 g/mol
Exact Mass372.83
IUPAC Name2-ethylsulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine
SMILESCCSc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C7H5Cl6N3S/c1-2-17-5-15-3(6(8,9)10)14-4(16-5)7(11,12)13/h2H2,1H3
InChIKeyGXCJDHJIPHAPGL-UHFFFAOYSA-N
XLogP4.64
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.92
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Methylthio-4,6-bis(trichloromethyl)-s-triazine
CID 19203
s-Triazine, 2-amino-4-(methylthio)-6-(trichloromethyl)-
CID 26980
s-Triazine, 2-(isopropylthio)-4,6-bis(trichloromethyl)-
CID 32454
s-Triazine, 2-(isobutylthio)-4,6-bis(trichloromethyl)-
CID 32455
2-Pentylsulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 32456
s-Triazine, 2-(hexylthio)-4,6-bis(trichloromethyl)-
CID 32457
s-Triazine, 2-(propylthio)-4,6-bis(trichloromethyl)-
CID 32470
s-Triazine, 2-(butylthio)-4,6-bis(trichloromethyl)-
CID 32471
2-Chloro-4-ethylsulfanyl-6-methyl-1,3,5-triazine
CID 118921038
[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]methanethiol
CID 123212647
2-(Methylsulfanylmethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 123304538
2,4-Bis(dichloromethyl)-6-methylsulfanyl-1,3,5-triazine
CID 21690

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine?
The IUPAC name of 2-ethylsulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine (CID 21687) is 2-ethylsulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine.
What is the SMILES notation for 2-ethylsulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine?
The canonical SMILES for 2-ethylsulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine is CCSc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1.
What is the InChIKey of 2-ethylsulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine?
The InChIKey is GXCJDHJIPHAPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl6N3S/c1-2-17-5-15-3(6(8,9)10)14-4(16-5)7(11,12)13/h2H2,1H3.
What are the key properties of 2-ethylsulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine?
2-ethylsulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine has a molecular weight of 375.92 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine is sourced from PubChem (CID 21687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).