2-chloro-4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazine

C10H10ClN3OS2 — CID 62867201

IUPAC2-chloro-4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazine
SMILESCCCOc1nc(Cl)nc(Sc2cccs2)n1
InChIInChI=1S/C10H10ClN3OS2/c1-2-5-15-9-12-8(11)13-10(14-9)17-7-4-3-6-16-7/h3-4,6H,2,5H2,1H3
InChIKeyQLTDGSNCNZVJAQ-UHFFFAOYSA-N
MW287.80 g/mol
LogP3.53
Rot. Bonds5

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

2-chloro-4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazine (PubChem CID 62867201) has the molecular formula C10H10ClN3OS2 and a molecular weight of 287.80 g/mol. Its IUPAC name is 2-chloro-4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazine
PubChem CID62867201
Molecular FormulaC10H10ClN3OS2
Molecular Weight287.80 g/mol
Exact Mass287.00
IUPAC Name2-chloro-4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazine
SMILESCCCOc1nc(Cl)nc(Sc2cccs2)n1
InChIInChI=1S/C10H10ClN3OS2/c1-2-5-15-9-12-8(11)13-10(14-9)17-7-4-3-6-16-7/h3-4,6H,2,5H2,1H3
InChIKeyQLTDGSNCNZVJAQ-UHFFFAOYSA-N
XLogP3.53
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.80
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-chloro-4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazine (CID 62867201) is 2-chloro-4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazine is CCCOc1nc(Cl)nc(Sc2cccs2)n1.
What is the InChIKey of 2-chloro-4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazine?
The InChIKey is QLTDGSNCNZVJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS2/c1-2-5-15-9-12-8(11)13-10(14-9)17-7-4-3-6-16-7/h3-4,6H,2,5H2,1H3.
What are the key properties of 2-chloro-4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazine?
2-chloro-4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazine has a molecular weight of 287.80 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazine is sourced from PubChem (CID 62867201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).