6-(2-hydroxyethyl)-1,3-oxazinane-2-thione

C6H11NO2S — CID 117274597

IUPAC6-(2-hydroxyethyl)-1,3-oxazinane-2-thione
SMILESOCCC1CCNC(=S)O1
InChIInChI=1S/C6H11NO2S/c8-4-2-5-1-3-7-6(10)9-5/h5,8H,1-4H2,(H,7,10)
InChIKeyBGAZZMUYOZEZGP-UHFFFAOYSA-N
MW161.23 g/mol
LogP0.03
Rot. Bonds2

About 6-(2-hydroxyethyl)-1,3-oxazinane-2-thione

6-(2-hydroxyethyl)-1,3-oxazinane-2-thione (PubChem CID 117274597) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 6-(2-hydroxyethyl)-1,3-oxazinane-2-thione.

Molecular Properties

Compound Name6-(2-hydroxyethyl)-1,3-oxazinane-2-thione
PubChem CID117274597
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name6-(2-hydroxyethyl)-1,3-oxazinane-2-thione
SMILESOCCC1CCNC(=S)O1
InChIInChI=1S/C6H11NO2S/c8-4-2-5-1-3-7-6(10)9-5/h5,8H,1-4H2,(H,7,10)
InChIKeyBGAZZMUYOZEZGP-UHFFFAOYSA-N
XLogP0.03
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethyl)-1,3-oxazinane-2-thione?
The IUPAC name of 6-(2-hydroxyethyl)-1,3-oxazinane-2-thione (CID 117274597) is 6-(2-hydroxyethyl)-1,3-oxazinane-2-thione.
What is the SMILES notation for 6-(2-hydroxyethyl)-1,3-oxazinane-2-thione?
The canonical SMILES for 6-(2-hydroxyethyl)-1,3-oxazinane-2-thione is OCCC1CCNC(=S)O1.
What is the InChIKey of 6-(2-hydroxyethyl)-1,3-oxazinane-2-thione?
The InChIKey is BGAZZMUYOZEZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c8-4-2-5-1-3-7-6(10)9-5/h5,8H,1-4H2,(H,7,10).
What are the key properties of 6-(2-hydroxyethyl)-1,3-oxazinane-2-thione?
6-(2-hydroxyethyl)-1,3-oxazinane-2-thione has a molecular weight of 161.23 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethyl)-1,3-oxazinane-2-thione is sourced from PubChem (CID 117274597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).