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

C5H6ClN3S — CID 12706437

IUPAC2-chloro-4-methyl-6-methylsulfanyl-1,3,5-triazine
SMILESCSc1nc(C)nc(Cl)n1
InChIInChI=1S/C5H6ClN3S/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3
InChIKeyUVGQOEDNLWEICY-UHFFFAOYSA-N
MW175.64 g/mol
LogP1.56
Rot. Bonds1

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

2-chloro-4-methyl-6-methylsulfanyl-1,3,5-triazine (PubChem CID 12706437) has the molecular formula C5H6ClN3S and a molecular weight of 175.64 g/mol. Its IUPAC name is 2-chloro-4-methyl-6-methylsulfanyl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-methyl-6-methylsulfanyl-1,3,5-triazine
PubChem CID12706437
Molecular FormulaC5H6ClN3S
Molecular Weight175.64 g/mol
Exact Mass175.00
IUPAC Name2-chloro-4-methyl-6-methylsulfanyl-1,3,5-triazine
SMILESCSc1nc(C)nc(Cl)n1
InChIInChI=1S/C5H6ClN3S/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3
InChIKeyUVGQOEDNLWEICY-UHFFFAOYSA-N
XLogP1.56
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.64
LogP ≤ 51.56
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
2,4-Dimethyl-6-methylsulfanyl-1,3,5-triazine
CID 19545
2-Methyl-4,6-bis(methylsulfanyl)-1,3,5-triazine
CID 21422
4-(Fluoromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 130738995
2,4-Diethyl-6-(methylsulfanyl)-1,3,5-triazine
CID 19706
2-Chloro-4-ethyl-6-methylsulfanyl-1,3,5-triazine
CID 20392936
4-(Chloromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 22349821
2-Methyl-4-methylsulfanyl-1,3,5-triazine
CID 53654558
CID 58875766
CID 58875766
2-Iodo-4-methyl-6-(methylthio)-1,3,5-triazine
CID 60154716
2-Chloro-4-ethylsulfanyl-6-methyl-1,3,5-triazine
CID 118921038
2-Chloro-4-ethyl-6-ethylsulfanyl-1,3,5-triazine
CID 118932865

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-6-methylsulfanyl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-methyl-6-methylsulfanyl-1,3,5-triazine (CID 12706437) is 2-chloro-4-methyl-6-methylsulfanyl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-methyl-6-methylsulfanyl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-methyl-6-methylsulfanyl-1,3,5-triazine is CSc1nc(C)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-methyl-6-methylsulfanyl-1,3,5-triazine?
The InChIKey is UVGQOEDNLWEICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3S/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3.
What are the key properties of 2-chloro-4-methyl-6-methylsulfanyl-1,3,5-triazine?
2-chloro-4-methyl-6-methylsulfanyl-1,3,5-triazine has a molecular weight of 175.64 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-6-methylsulfanyl-1,3,5-triazine is sourced from PubChem (CID 12706437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).