4-ethyl-1,3-oxazolidine-2-thione

C5H9NOS — CID 3006141

IUPAC4-ethyl-1,3-oxazolidine-2-thione
SMILESCCC1COC(=S)N1
InChIInChI=1S/C5H9NOS/c1-2-4-3-7-5(8)6-4/h4H,2-3H2,1H3,(H,6,8)
InChIKeyIUQNMFMYZBLMEV-UHFFFAOYSA-N
MW131.20 g/mol
LogP0.67
Rot. Bonds1

About 4-ethyl-1,3-oxazolidine-2-thione

4-ethyl-1,3-oxazolidine-2-thione (PubChem CID 3006141) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is 4-ethyl-1,3-oxazolidine-2-thione.

Molecular Properties

Compound Name4-ethyl-1,3-oxazolidine-2-thione
PubChem CID3006141
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC Name4-ethyl-1,3-oxazolidine-2-thione
SMILESCCC1COC(=S)N1
InChIInChI=1S/C5H9NOS/c1-2-4-3-7-5(8)6-4/h4H,2-3H2,1H3,(H,6,8)
InChIKeyIUQNMFMYZBLMEV-UHFFFAOYSA-N
XLogP0.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Ethyloxazolidine
CID 103721
5-Methyl-1,3-oxazolidine-2-thione
CID 3258601
2-Oxazolidinethione, 4-methyl-
CID 3037499
(S)-4-Isopropyloxazolidine-2-thione
CID 7271926
Sisaustricin
CID 15317336
(4S)-4-Ethyl-1,3-oxazolidine-2-thione
CID 58598215
4-Isopropyl-1,3-oxazolidine-2-thione
CID 3468453
(4S)-4-methyl-1,3-oxazolidine-2-thione
CID 101003960
(4S)-4-butan-2-yl-1,3-oxazolidine-2-thione
CID 139221157
5-Ethyl-1,3-oxazolidine-2-thione
CID 12642976
(R)-4-Isopropyloxazolidine-2-thione
CID 16211136
4,5-Dimethyl-1,3-oxazolidine-2-thione
CID 22414320

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,3-oxazolidine-2-thione?
The IUPAC name of 4-ethyl-1,3-oxazolidine-2-thione (CID 3006141) is 4-ethyl-1,3-oxazolidine-2-thione.
What is the SMILES notation for 4-ethyl-1,3-oxazolidine-2-thione?
The canonical SMILES for 4-ethyl-1,3-oxazolidine-2-thione is CCC1COC(=S)N1.
What is the InChIKey of 4-ethyl-1,3-oxazolidine-2-thione?
The InChIKey is IUQNMFMYZBLMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS/c1-2-4-3-7-5(8)6-4/h4H,2-3H2,1H3,(H,6,8).
What are the key properties of 4-ethyl-1,3-oxazolidine-2-thione?
4-ethyl-1,3-oxazolidine-2-thione has a molecular weight of 131.20 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,3-oxazolidine-2-thione is sourced from PubChem (CID 3006141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).