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

C7H10ClN3OS — CID 62865803

IUPAC2-chloro-4-methylsulfanyl-6-propoxy-1,3,5-triazine
SMILESCCCOc1nc(Cl)nc(SC)n1
InChIInChI=1S/C7H10ClN3OS/c1-3-4-12-6-9-5(8)10-7(11-6)13-2/h3-4H2,1-2H3
InChIKeySENPDMGFEMFBMU-UHFFFAOYSA-N
MW219.70 g/mol
LogP2.04
Rot. Bonds4

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

2-chloro-4-methylsulfanyl-6-propoxy-1,3,5-triazine (PubChem CID 62865803) has the molecular formula C7H10ClN3OS and a molecular weight of 219.70 g/mol. Its IUPAC name is 2-chloro-4-methylsulfanyl-6-propoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-methylsulfanyl-6-propoxy-1,3,5-triazine
PubChem CID62865803
Molecular FormulaC7H10ClN3OS
Molecular Weight219.70 g/mol
Exact Mass219.02
IUPAC Name2-chloro-4-methylsulfanyl-6-propoxy-1,3,5-triazine
SMILESCCCOc1nc(Cl)nc(SC)n1
InChIInChI=1S/C7H10ClN3OS/c1-3-4-12-6-9-5(8)10-7(11-6)13-2/h3-4H2,1-2H3
InChIKeySENPDMGFEMFBMU-UHFFFAOYSA-N
XLogP2.04
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.70
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methylsulfanyl-6-propoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-methylsulfanyl-6-propoxy-1,3,5-triazine (CID 62865803) is 2-chloro-4-methylsulfanyl-6-propoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-methylsulfanyl-6-propoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-methylsulfanyl-6-propoxy-1,3,5-triazine is CCCOc1nc(Cl)nc(SC)n1.
What is the InChIKey of 2-chloro-4-methylsulfanyl-6-propoxy-1,3,5-triazine?
The InChIKey is SENPDMGFEMFBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3OS/c1-3-4-12-6-9-5(8)10-7(11-6)13-2/h3-4H2,1-2H3.
What are the key properties of 2-chloro-4-methylsulfanyl-6-propoxy-1,3,5-triazine?
2-chloro-4-methylsulfanyl-6-propoxy-1,3,5-triazine has a molecular weight of 219.70 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methylsulfanyl-6-propoxy-1,3,5-triazine is sourced from PubChem (CID 62865803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).