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

C7H5Cl6N3S — CID 123304538

IUPAC2-(methylsulfanylmethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
SMILESCSCc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C7H5Cl6N3S/c1-17-2-3-14-4(6(8,9)10)16-5(15-3)7(11,12)13/h2H2,1H3
InChIKeyFFOYEAQUBMOKKZ-UHFFFAOYSA-N
MW375.92 g/mol
LogP4.39
Rot. Bonds2

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

2-(methylsulfanylmethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine (PubChem CID 123304538) has the molecular formula C7H5Cl6N3S and a molecular weight of 375.92 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
PubChem CID123304538
Molecular FormulaC7H5Cl6N3S
Molecular Weight375.92 g/mol
Exact Mass372.83
IUPAC Name2-(methylsulfanylmethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
SMILESCSCc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C7H5Cl6N3S/c1-17-2-3-14-4(6(8,9)10)16-5(15-3)7(11,12)13/h2H2,1H3
InChIKeyFFOYEAQUBMOKKZ-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
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

CID 13703
CID 13703
CID 21687
CID 21687
CID 32454
CID 32454
CID 32456
CID 32456
CID 32470
CID 32470
CID 32471
CID 32471
CID 27427
CID 27427
CID 35659
CID 35659
CID 59017123
CID 59017123
CID 123212647
CID 123212647
CID 21690
CID 21690
CID 32435
CID 32435

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine?
The IUPAC name of 2-(methylsulfanylmethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine (CID 123304538) is 2-(methylsulfanylmethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine.
What is the SMILES notation for 2-(methylsulfanylmethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine?
The canonical SMILES for 2-(methylsulfanylmethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine is CSCc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1.
What is the InChIKey of 2-(methylsulfanylmethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine?
The InChIKey is FFOYEAQUBMOKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl6N3S/c1-17-2-3-14-4(6(8,9)10)16-5(15-3)7(11,12)13/h2H2,1H3.
What are the key properties of 2-(methylsulfanylmethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine?
2-(methylsulfanylmethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine has a molecular weight of 375.92 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine is sourced from PubChem (CID 123304538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).