1-iminothiolan-3-ol

C4H9NOS — CID 118352348

IUPAC1-iminothiolan-3-ol
SMILES[H]/N=S1\CCC(O)C1
InChIInChI=1S/C4H9NOS/c5-7-2-1-4(6)3-7/h4-6H,1-3H2
InChIKeyQXWISJPPWPEHIZ-UHFFFAOYSA-N
MW119.19 g/mol
LogP0.13
Rot. Bonds

About 1-iminothiolan-3-ol

1-iminothiolan-3-ol (PubChem CID 118352348) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is 1-iminothiolan-3-ol.

Molecular Properties

Compound Name1-iminothiolan-3-ol
PubChem CID118352348
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC Name1-iminothiolan-3-ol
SMILES[H]/N=S1\CCC(O)C1
InChIInChI=1S/C4H9NOS/c5-7-2-1-4(6)3-7/h4-6H,1-3H2
InChIKeyQXWISJPPWPEHIZ-UHFFFAOYSA-N
XLogP0.13
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-iminothiolan-3-ol?
The IUPAC name of 1-iminothiolan-3-ol (CID 118352348) is 1-iminothiolan-3-ol.
What is the SMILES notation for 1-iminothiolan-3-ol?
The canonical SMILES for 1-iminothiolan-3-ol is [H]/N=S1\CCC(O)C1.
What is the InChIKey of 1-iminothiolan-3-ol?
The InChIKey is QXWISJPPWPEHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS/c5-7-2-1-4(6)3-7/h4-6H,1-3H2.
What are the key properties of 1-iminothiolan-3-ol?
1-iminothiolan-3-ol has a molecular weight of 119.19 g/mol, XLogP of 0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iminothiolan-3-ol is sourced from PubChem (CID 118352348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).