methanethioic S-acid;tetraethylazanium

C9H22NOS+ — CID 175419188

IUPACmethanethioic S-acid;tetraethylazanium
SMILESCC[N+](CC)(CC)CC.O=CS
InChIInChI=1S/C8H20N.CH2OS/c1-5-9(6-2,7-3)8-4;2-1-3/h5-8H2,1-4H3;1H,(H,2,3)/q+1;
InChIKeyTXVCICIAWKVZHO-UHFFFAOYSA-N
MW192.35 g/mol
LogP1.99
Rot. Bonds4

About methanethioic S-acid;tetraethylazanium

methanethioic S-acid;tetraethylazanium (PubChem CID 175419188) has the molecular formula C9H22NOS+ and a molecular weight of 192.35 g/mol. Its IUPAC name is methanethioic S-acid;tetraethylazanium.

Molecular Properties

Compound Namemethanethioic S-acid;tetraethylazanium
PubChem CID175419188
Molecular FormulaC9H22NOS+
Molecular Weight192.35 g/mol
Exact Mass192.14
IUPAC Namemethanethioic S-acid;tetraethylazanium
SMILESCC[N+](CC)(CC)CC.O=CS
InChIInChI=1S/C8H20N.CH2OS/c1-5-9(6-2,7-3)8-4;2-1-3/h5-8H2,1-4H3;1H,(H,2,3)/q+1;
InChIKeyTXVCICIAWKVZHO-UHFFFAOYSA-N
XLogP1.99
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

acetaldehyde;tetraethylazanium
CID 57468225
iron(2+);tetraethylazanium
CID 159930273
tetraethylazanium hydroxide
CID 6509
tetraethylazanium;fluoride;dihydrate
CID 2776564
prop-1-ene;tetraethylazanium
CID 159504263
methylazanium;tetraethylazanium;chloride;iodide
CID 172809050
methanol;tetraethylazanium;hydroxide
CID 159654840
phosphenous acid;tetraethylazanium
CID 14943914
tetraethylazanium;thiocyanic acid
CID 87060166
oxalic acid;tetraethylazanium
CID 24888116
dihydroxy(oxo)phosphanium;tetraethylazanium
CID 175533770
carbamic acid;tetraethylazanium
CID 159284464

Frequently Asked Questions

What is the IUPAC name of methanethioic S-acid;tetraethylazanium?
The IUPAC name of methanethioic S-acid;tetraethylazanium (CID 175419188) is methanethioic S-acid;tetraethylazanium.
What is the SMILES notation for methanethioic S-acid;tetraethylazanium?
The canonical SMILES for methanethioic S-acid;tetraethylazanium is CC[N+](CC)(CC)CC.O=CS.
What is the InChIKey of methanethioic S-acid;tetraethylazanium?
The InChIKey is TXVCICIAWKVZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N.CH2OS/c1-5-9(6-2,7-3)8-4;2-1-3/h5-8H2,1-4H3;1H,(H,2,3)/q+1;.
What are the key properties of methanethioic S-acid;tetraethylazanium?
methanethioic S-acid;tetraethylazanium has a molecular weight of 192.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanethioic S-acid;tetraethylazanium is sourced from PubChem (CID 175419188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).