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

C10H16IN3S2 — CID 2797925

IUPAC6-ethylsulfanyl-3-(thiophen-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine;hydroiodide
SMILESCCSC1=NCN(Cc2cccs2)CN1.I
InChIInChI=1S/C10H15N3S2.HI/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);1H
InChIKeyYSEZPDZBPFETQK-UHFFFAOYSA-N
MW369.30 g/mol
LogP2.80
Rot. Bonds3

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

6-ethylsulfanyl-3-(thiophen-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine;hydroiodide (PubChem CID 2797925) has the molecular formula C10H16IN3S2 and a molecular weight of 369.30 g/mol. Its IUPAC name is 6-ethylsulfanyl-3-(thiophen-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine;hydroiodide.

Molecular Properties

Compound Name6-ethylsulfanyl-3-(thiophen-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine;hydroiodide
PubChem CID2797925
Molecular FormulaC10H16IN3S2
Molecular Weight369.30 g/mol
Exact Mass368.98
IUPAC Name6-ethylsulfanyl-3-(thiophen-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine;hydroiodide
SMILESCCSC1=NCN(Cc2cccs2)CN1.I
InChIInChI=1S/C10H15N3S2.HI/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);1H
InChIKeyYSEZPDZBPFETQK-UHFFFAOYSA-N
XLogP2.80
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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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;hydroiodide?
The IUPAC name of 6-ethylsulfanyl-3-(thiophen-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine;hydroiodide (CID 2797925) is 6-ethylsulfanyl-3-(thiophen-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine;hydroiodide.
What is the SMILES notation for 6-ethylsulfanyl-3-(thiophen-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine;hydroiodide?
The canonical SMILES for 6-ethylsulfanyl-3-(thiophen-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine;hydroiodide is CCSC1=NCN(Cc2cccs2)CN1.I.
What is the InChIKey of 6-ethylsulfanyl-3-(thiophen-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine;hydroiodide?
The InChIKey is YSEZPDZBPFETQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S2.HI/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);1H.
What are the key properties of 6-ethylsulfanyl-3-(thiophen-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine;hydroiodide?
6-ethylsulfanyl-3-(thiophen-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine;hydroiodide has a molecular weight of 369.30 g/mol, XLogP of 2.80, 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;hydroiodide is sourced from PubChem (CID 2797925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).