(5-ethylsulfanylthiophen-2-yl)methyl-trimethylazanium iodide

C10H18INS2 — CID 2827153

IUPAC(5-ethylsulfanylthiophen-2-yl)methyl-trimethylazanium iodide
SMILESCCSc1ccc(C[N+](C)(C)C)s1.[I-]
InChIInChI=1S/C10H18NS2.HI/c1-5-12-10-7-6-9(13-10)8-11(2,3)4;/h6-7H,5,8H2,1-4H3;1H/q+1;/p-1
InChIKeyGUMLIQXSNCPSBA-UHFFFAOYSA-M
MW343.30 g/mol
LogP0.07
Rot. Bonds4

About (5-ethylsulfanylthiophen-2-yl)methyl-trimethylazanium iodide

(5-ethylsulfanylthiophen-2-yl)methyl-trimethylazanium iodide (PubChem CID 2827153) has the molecular formula C10H18INS2 and a molecular weight of 343.30 g/mol. Its IUPAC name is (5-ethylsulfanylthiophen-2-yl)methyl-trimethylazanium iodide.

Molecular Properties

Compound Name(5-ethylsulfanylthiophen-2-yl)methyl-trimethylazanium iodide
PubChem CID2827153
Molecular FormulaC10H18INS2
Molecular Weight343.30 g/mol
Exact Mass342.99
IUPAC Name(5-ethylsulfanylthiophen-2-yl)methyl-trimethylazanium iodide
SMILESCCSc1ccc(C[N+](C)(C)C)s1.[I-]
InChIInChI=1S/C10H18NS2.HI/c1-5-12-10-7-6-9(13-10)8-11(2,3)4;/h6-7H,5,8H2,1-4H3;1H/q+1;/p-1
InChIKeyGUMLIQXSNCPSBA-UHFFFAOYSA-M
XLogP0.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-ethylsulfanylthiophen-2-yl)methyl-trimethylazanium iodide?
The IUPAC name of (5-ethylsulfanylthiophen-2-yl)methyl-trimethylazanium iodide (CID 2827153) is (5-ethylsulfanylthiophen-2-yl)methyl-trimethylazanium iodide.
What is the SMILES notation for (5-ethylsulfanylthiophen-2-yl)methyl-trimethylazanium iodide?
The canonical SMILES for (5-ethylsulfanylthiophen-2-yl)methyl-trimethylazanium iodide is CCSc1ccc(C[N+](C)(C)C)s1.[I-].
What is the InChIKey of (5-ethylsulfanylthiophen-2-yl)methyl-trimethylazanium iodide?
The InChIKey is GUMLIQXSNCPSBA-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H18NS2.HI/c1-5-12-10-7-6-9(13-10)8-11(2,3)4;/h6-7H,5,8H2,1-4H3;1H/q+1;/p-1.
What are the key properties of (5-ethylsulfanylthiophen-2-yl)methyl-trimethylazanium iodide?
(5-ethylsulfanylthiophen-2-yl)methyl-trimethylazanium iodide has a molecular weight of 343.30 g/mol, XLogP of 0.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylsulfanylthiophen-2-yl)methyl-trimethylazanium iodide is sourced from PubChem (CID 2827153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).