1-decylthiolan-1-ium iodide

C14H29IS — CID 162666746

IUPAC1-decylthiolan-1-ium iodide
SMILESCCCCCCCCCC[S+]1CCCC1.[I-]
InChIInChI=1S/C14H29S.HI/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-15;/h2-14H2,1H3;1H/q+1;/p-1
InChIKeyDGXJOCXEEJDGHB-UHFFFAOYSA-M
MW356.36 g/mol
LogP1.54
Rot. Bonds9

About 1-decylthiolan-1-ium iodide

1-decylthiolan-1-ium iodide (PubChem CID 162666746) has the molecular formula C14H29IS and a molecular weight of 356.36 g/mol. Its IUPAC name is 1-decylthiolan-1-ium iodide.

Molecular Properties

Compound Name1-decylthiolan-1-ium iodide
PubChem CID162666746
Molecular FormulaC14H29IS
Molecular Weight356.36 g/mol
Exact Mass356.10
IUPAC Name1-decylthiolan-1-ium iodide
SMILESCCCCCCCCCC[S+]1CCCC1.[I-]
InChIInChI=1S/C14H29S.HI/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-15;/h2-14H2,1H3;1H/q+1;/p-1
InChIKeyDGXJOCXEEJDGHB-UHFFFAOYSA-M
XLogP1.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Methyl octyl sulfide
CID 77289
1-(Methylsulfanyl)dodecane
CID 77287
Ethyl octyl sulfide
CID 77288
Sulfonium, ethylmethyloctadecyl-, iodide
CID 207332
Decyl ethyl sulfide
CID 292593
Ethyl nonyl sulfide
CID 292851
Heptane, 1,1'-thiobis-
CID 69422
Decyl methyl sulphide
CID 89712
Sulfide, dodecyl ethyl
CID 534448
1-Octadecylthiolan-1-ium iodide
CID 162652878
Dodecyldimethylsulfonium iodide
CID 19021065
1-Hexadecylthiolan-1-ium iodide
CID 162673985

Frequently Asked Questions

What is the IUPAC name of 1-decylthiolan-1-ium iodide?
The IUPAC name of 1-decylthiolan-1-ium iodide (CID 162666746) is 1-decylthiolan-1-ium iodide.
What is the SMILES notation for 1-decylthiolan-1-ium iodide?
The canonical SMILES for 1-decylthiolan-1-ium iodide is CCCCCCCCCC[S+]1CCCC1.[I-].
What is the InChIKey of 1-decylthiolan-1-ium iodide?
The InChIKey is DGXJOCXEEJDGHB-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H29S.HI/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-15;/h2-14H2,1H3;1H/q+1;/p-1.
What are the key properties of 1-decylthiolan-1-ium iodide?
1-decylthiolan-1-ium iodide has a molecular weight of 356.36 g/mol, XLogP of 1.54, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decylthiolan-1-ium iodide is sourced from PubChem (CID 162666746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).