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

C6H3Cl6N3S — CID 19203

IUPAC2-methylsulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine
SMILESCSc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C6H3Cl6N3S/c1-16-4-14-2(5(7,8)9)13-3(15-4)6(10,11)12/h1H3
InChIKeyCYPWEVNLBQKLEU-UHFFFAOYSA-N
MW361.90 g/mol
LogP4.25
Rot. Bonds1

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

2-methylsulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine (PubChem CID 19203) has the molecular formula C6H3Cl6N3S and a molecular weight of 361.90 g/mol. Its IUPAC name is 2-methylsulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-methylsulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine
PubChem CID19203
Molecular FormulaC6H3Cl6N3S
Molecular Weight361.90 g/mol
Exact Mass358.82
IUPAC Name2-methylsulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine
SMILESCSc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C6H3Cl6N3S/c1-16-4-14-2(5(7,8)9)13-3(15-4)6(10,11)12/h1H3
InChIKeyCYPWEVNLBQKLEU-UHFFFAOYSA-N
XLogP4.25
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 54.25
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

s-Triazine, 2-amino-4-(methylthio)-6-(trichloromethyl)-
CID 26980
s-Triazine, 2-(ethylthio)-4,6-bis(trichloromethyl)-
CID 21687
s-Triazine, 2-(isopropylthio)-4,6-bis(trichloromethyl)-
CID 32454
s-Triazine, 2-(propylthio)-4,6-bis(trichloromethyl)-
CID 32470
s-Triazine, 2-(butylthio)-4,6-bis(trichloromethyl)-
CID 32471
2-Methylsulfonyl-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 88030247
2,4-Bis(dichloromethyl)-6-methylsulfanyl-1,3,5-triazine
CID 21690
2,4-Bis(methylsulfanyl)-6-(trichloromethyl)-1,3,5-triazine
CID 26981
2,4-Bis(1,1-dichloroethyl)-6-methylsulfanyl-1,3,5-triazine
CID 35536
2-Methylsulfanyl-4,6-bis(1,1,2,2,2-pentachloroethyl)-1,3,5-triazine
CID 35538
2,4-Bis(chloromethyl)-6-methylsulfanyl-1,3,5-triazine
CID 36305

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine?
The IUPAC name of 2-methylsulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine (CID 19203) is 2-methylsulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine.
What is the SMILES notation for 2-methylsulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine?
The canonical SMILES for 2-methylsulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine is CSc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1.
What is the InChIKey of 2-methylsulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine?
The InChIKey is CYPWEVNLBQKLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl6N3S/c1-16-4-14-2(5(7,8)9)13-3(15-4)6(10,11)12/h1H3.
What are the key properties of 2-methylsulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine?
2-methylsulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine has a molecular weight of 361.90 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine is sourced from PubChem (CID 19203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).