1-imino-1-oxothiolan-3-ol

C4H9NO2S — CID 90139493

IUPAC1-imino-1-oxothiolan-3-ol
SMILES[H]N=S1(=O)CCC(O)C1
InChIInChI=1S/C4H9NO2S/c5-8(7)2-1-4(6)3-8/h4-6H,1-3H2
InChIKeyRXKCWDUIBQYXAE-UHFFFAOYSA-N
MW135.19 g/mol
LogP-0.20
Rot. Bonds

About 1-imino-1-oxothiolan-3-ol

1-imino-1-oxothiolan-3-ol (PubChem CID 90139493) has the molecular formula C4H9NO2S and a molecular weight of 135.19 g/mol. Its IUPAC name is 1-imino-1-oxothiolan-3-ol.

Molecular Properties

Compound Name1-imino-1-oxothiolan-3-ol
PubChem CID90139493
Molecular FormulaC4H9NO2S
Molecular Weight135.19 g/mol
Exact Mass135.04
IUPAC Name1-imino-1-oxothiolan-3-ol
SMILES[H]N=S1(=O)CCC(O)C1
InChIInChI=1S/C4H9NO2S/c5-8(7)2-1-4(6)3-8/h4-6H,1-3H2
InChIKeyRXKCWDUIBQYXAE-UHFFFAOYSA-N
XLogP-0.20
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-imino-1-oxothiolan-3-ol?
The IUPAC name of 1-imino-1-oxothiolan-3-ol (CID 90139493) is 1-imino-1-oxothiolan-3-ol.
What is the SMILES notation for 1-imino-1-oxothiolan-3-ol?
The canonical SMILES for 1-imino-1-oxothiolan-3-ol is [H]N=S1(=O)CCC(O)C1.
What is the InChIKey of 1-imino-1-oxothiolan-3-ol?
The InChIKey is RXKCWDUIBQYXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2S/c5-8(7)2-1-4(6)3-8/h4-6H,1-3H2.
What are the key properties of 1-imino-1-oxothiolan-3-ol?
1-imino-1-oxothiolan-3-ol has a molecular weight of 135.19 g/mol, XLogP of -0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imino-1-oxothiolan-3-ol is sourced from PubChem (CID 90139493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).