6-ethylsulfanyl-3-(thiophen-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine

C10H15N3S2 — CID 2797926

IUPAC6-ethylsulfanyl-3-(thiophen-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine
SMILESCCSC1=NCN(Cc2cccs2)CN1
InChIInChI=1S/C10H15N3S2/c1-2-14-10-11-7-13(8-12-10)6-9-4-3-5-15-9/h3-5H,2,6-8H2,1H3,(H,11,12)
InChIKeyGMMFAMPGNOZUML-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.18
Rot. Bonds3

About 6-ethylsulfanyl-3-(thiophen-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine

6-ethylsulfanyl-3-(thiophen-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine (PubChem CID 2797926) has the molecular formula C10H15N3S2 and a molecular weight of 241.38 g/mol. Its IUPAC name is 6-ethylsulfanyl-3-(thiophen-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine.

Molecular Properties

Compound Name6-ethylsulfanyl-3-(thiophen-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine
PubChem CID2797926
Molecular FormulaC10H15N3S2
Molecular Weight241.38 g/mol
Exact Mass241.07
IUPAC Name6-ethylsulfanyl-3-(thiophen-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine
SMILESCCSC1=NCN(Cc2cccs2)CN1
InChIInChI=1S/C10H15N3S2/c1-2-14-10-11-7-13(8-12-10)6-9-4-3-5-15-9/h3-5H,2,6-8H2,1H3,(H,11,12)
InChIKeyGMMFAMPGNOZUML-UHFFFAOYSA-N
XLogP2.18
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-3-(thiophen-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine?
The IUPAC name of 6-ethylsulfanyl-3-(thiophen-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine (CID 2797926) is 6-ethylsulfanyl-3-(thiophen-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine.
What is the SMILES notation for 6-ethylsulfanyl-3-(thiophen-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine?
The canonical SMILES for 6-ethylsulfanyl-3-(thiophen-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine is CCSC1=NCN(Cc2cccs2)CN1.
What is the InChIKey of 6-ethylsulfanyl-3-(thiophen-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine?
The InChIKey is GMMFAMPGNOZUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S2/c1-2-14-10-11-7-13(8-12-10)6-9-4-3-5-15-9/h3-5H,2,6-8H2,1H3,(H,11,12).
What are the key properties of 6-ethylsulfanyl-3-(thiophen-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine?
6-ethylsulfanyl-3-(thiophen-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine has a molecular weight of 241.38 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-3-(thiophen-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine is sourced from PubChem (CID 2797926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).