(oxetan-3-ylamino)methanethiol

C4H9NOS — CID 123417020

IUPAC(oxetan-3-ylamino)methanethiol
SMILESSCNC1COC1
InChIInChI=1S/C4H9NOS/c7-3-5-4-1-6-2-4/h4-5,7H,1-3H2
InChIKeyRAVXDFXZDFONSX-UHFFFAOYSA-N
MW119.19 g/mol
LogP-0.14
Rot. Bonds2

About (oxetan-3-ylamino)methanethiol

(oxetan-3-ylamino)methanethiol (PubChem CID 123417020) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is (oxetan-3-ylamino)methanethiol.

Molecular Properties

Compound Name(oxetan-3-ylamino)methanethiol
PubChem CID123417020
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC Name(oxetan-3-ylamino)methanethiol
SMILESSCNC1COC1
InChIInChI=1S/C4H9NOS/c7-3-5-4-1-6-2-4/h4-5,7H,1-3H2
InChIKeyRAVXDFXZDFONSX-UHFFFAOYSA-N
XLogP-0.14
TPSA21.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (oxetan-3-ylamino)methanethiol?
The IUPAC name of (oxetan-3-ylamino)methanethiol (CID 123417020) is (oxetan-3-ylamino)methanethiol.
What is the SMILES notation for (oxetan-3-ylamino)methanethiol?
The canonical SMILES for (oxetan-3-ylamino)methanethiol is SCNC1COC1.
What is the InChIKey of (oxetan-3-ylamino)methanethiol?
The InChIKey is RAVXDFXZDFONSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS/c7-3-5-4-1-6-2-4/h4-5,7H,1-3H2.
What are the key properties of (oxetan-3-ylamino)methanethiol?
(oxetan-3-ylamino)methanethiol has a molecular weight of 119.19 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (oxetan-3-ylamino)methanethiol is sourced from PubChem (CID 123417020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).