(1-methyliminothiolan-1-ylidene)oxidanium

C5H12NOS+ — CID 163808578

IUPAC(1-methyliminothiolan-1-ylidene)oxidanium
SMILES[H][O+]=S1(=NC)CCCC1
InChIInChI=1S/C5H11NOS/c1-6-8(7)4-2-3-5-8/h2-5H2,1H3/p+1
InChIKeyNLGKCIOQBUJKAZ-UHFFFAOYSA-O
MW134.22 g/mol
LogP1.04
Rot. Bonds

About (1-methyliminothiolan-1-ylidene)oxidanium

(1-methyliminothiolan-1-ylidene)oxidanium (PubChem CID 163808578) has the molecular formula C5H12NOS+ and a molecular weight of 134.22 g/mol. Its IUPAC name is (1-methyliminothiolan-1-ylidene)oxidanium.

Molecular Properties

Compound Name(1-methyliminothiolan-1-ylidene)oxidanium
PubChem CID163808578
Molecular FormulaC5H12NOS+
Molecular Weight134.22 g/mol
Exact Mass134.06
IUPAC Name(1-methyliminothiolan-1-ylidene)oxidanium
SMILES[H][O+]=S1(=NC)CCCC1
InChIInChI=1S/C5H11NOS/c1-6-8(7)4-2-3-5-8/h2-5H2,1H3/p+1
InChIKeyNLGKCIOQBUJKAZ-UHFFFAOYSA-O
XLogP1.04
TPSA33.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-methyliminothiolan-1-ylidene)oxidanium?
The IUPAC name of (1-methyliminothiolan-1-ylidene)oxidanium (CID 163808578) is (1-methyliminothiolan-1-ylidene)oxidanium.
What is the SMILES notation for (1-methyliminothiolan-1-ylidene)oxidanium?
The canonical SMILES for (1-methyliminothiolan-1-ylidene)oxidanium is [H][O+]=S1(=NC)CCCC1.
What is the InChIKey of (1-methyliminothiolan-1-ylidene)oxidanium?
The InChIKey is NLGKCIOQBUJKAZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11NOS/c1-6-8(7)4-2-3-5-8/h2-5H2,1H3/p+1.
What are the key properties of (1-methyliminothiolan-1-ylidene)oxidanium?
(1-methyliminothiolan-1-ylidene)oxidanium has a molecular weight of 134.22 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyliminothiolan-1-ylidene)oxidanium is sourced from PubChem (CID 163808578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).