2-chloro-4-ethylsulfanyl-6-methyl-1,3,5-triazine

C6H8ClN3S — CID 118921038

IUPAC2-chloro-4-ethylsulfanyl-6-methyl-1,3,5-triazine
SMILESCCSc1nc(C)nc(Cl)n1
InChIInChI=1S/C6H8ClN3S/c1-3-11-6-9-4(2)8-5(7)10-6/h3H2,1-2H3
InChIKeyMULYLDGSCYSDEQ-UHFFFAOYSA-N
MW189.67 g/mol
LogP1.95
Rot. Bonds2

About 2-chloro-4-ethylsulfanyl-6-methyl-1,3,5-triazine

2-chloro-4-ethylsulfanyl-6-methyl-1,3,5-triazine (PubChem CID 118921038) has the molecular formula C6H8ClN3S and a molecular weight of 189.67 g/mol. Its IUPAC name is 2-chloro-4-ethylsulfanyl-6-methyl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-ethylsulfanyl-6-methyl-1,3,5-triazine
PubChem CID118921038
Molecular FormulaC6H8ClN3S
Molecular Weight189.67 g/mol
Exact Mass189.01
IUPAC Name2-chloro-4-ethylsulfanyl-6-methyl-1,3,5-triazine
SMILESCCSc1nc(C)nc(Cl)n1
InChIInChI=1S/C6H8ClN3S/c1-3-11-6-9-4(2)8-5(7)10-6/h3H2,1-2H3
InChIKeyMULYLDGSCYSDEQ-UHFFFAOYSA-N
XLogP1.95
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.67
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,5-Triazin-2-amine, 4-methyl-6-(methylthio)-
CID 214051
4-(Ethylsulfanyl)-6-Methyl-1,3,5-Triazin-2-Amine
CID 2726596
Tbmt-PK15 (12)
CID 124222760
1,3,5-Triazin-2-amine, N,4-dimethyl-6-(ethylthio)-
CID 3044743
2,4-Dimethyl-6-methylsulfanyl-1,3,5-triazine
CID 19545
2-Methyl-4,6-bis(methylsulfanyl)-1,3,5-triazine
CID 21422
s-Triazine, 2-(ethylthio)-4,6-bis(trichloromethyl)-
CID 21687
2-Chloro-4-methyl-6-(methylthio)-1,3,5-triazine
CID 12706437
2-Chloro-4-ethyl-6-methylsulfanyl-1,3,5-triazine
CID 20392936
6-(Methylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
CID 21815922
2-Iodo-4-methyl-6-(methylthio)-1,3,5-triazine
CID 60154716
2-Methyl-4,6-bis(methylsulfanylmethyl)-1,3,5-triazine
CID 118016446

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethylsulfanyl-6-methyl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-ethylsulfanyl-6-methyl-1,3,5-triazine (CID 118921038) is 2-chloro-4-ethylsulfanyl-6-methyl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-ethylsulfanyl-6-methyl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-ethylsulfanyl-6-methyl-1,3,5-triazine is CCSc1nc(C)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-ethylsulfanyl-6-methyl-1,3,5-triazine?
The InChIKey is MULYLDGSCYSDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3S/c1-3-11-6-9-4(2)8-5(7)10-6/h3H2,1-2H3.
What are the key properties of 2-chloro-4-ethylsulfanyl-6-methyl-1,3,5-triazine?
2-chloro-4-ethylsulfanyl-6-methyl-1,3,5-triazine has a molecular weight of 189.67 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethylsulfanyl-6-methyl-1,3,5-triazine is sourced from PubChem (CID 118921038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).