1-imino-1-oxothian-4-ol

C5H11NO2S — CID 90139494

IUPAC1-imino-1-oxothian-4-ol
SMILES[H]N=S1(=O)CCC(O)CC1
InChIInChI=1S/C5H11NO2S/c6-9(8)3-1-5(7)2-4-9/h5-7H,1-4H2
InChIKeySUMHVNZFIBGRFL-UHFFFAOYSA-N
MW149.22 g/mol
LogP0.19
Rot. Bonds

About 1-imino-1-oxothian-4-ol

1-imino-1-oxothian-4-ol (PubChem CID 90139494) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is 1-imino-1-oxothian-4-ol.

Molecular Properties

Compound Name1-imino-1-oxothian-4-ol
PubChem CID90139494
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name1-imino-1-oxothian-4-ol
SMILES[H]N=S1(=O)CCC(O)CC1
InChIInChI=1S/C5H11NO2S/c6-9(8)3-1-5(7)2-4-9/h5-7H,1-4H2
InChIKeySUMHVNZFIBGRFL-UHFFFAOYSA-N
XLogP0.19
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-imino-1-oxothian-4-ol?
The IUPAC name of 1-imino-1-oxothian-4-ol (CID 90139494) is 1-imino-1-oxothian-4-ol.
What is the SMILES notation for 1-imino-1-oxothian-4-ol?
The canonical SMILES for 1-imino-1-oxothian-4-ol is [H]N=S1(=O)CCC(O)CC1.
What is the InChIKey of 1-imino-1-oxothian-4-ol?
The InChIKey is SUMHVNZFIBGRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c6-9(8)3-1-5(7)2-4-9/h5-7H,1-4H2.
What are the key properties of 1-imino-1-oxothian-4-ol?
1-imino-1-oxothian-4-ol has a molecular weight of 149.22 g/mol, XLogP of 0.19, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imino-1-oxothian-4-ol is sourced from PubChem (CID 90139494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).