4-methyl-2-oxa-4-azabicyclo[3.1.0]hexane-3-thione

C5H7NOS — CID 163991584

IUPAC4-methyl-2-oxa-4-azabicyclo[3.1.0]hexane-3-thione
SMILESCN1C(=S)OC2CC21
InChIInChI=1S/C5H7NOS/c1-6-3-2-4(3)7-5(6)8/h3-4H,2H2,1H3
InChIKeyUBBWJACHHSDFBY-UHFFFAOYSA-N
MW129.18 g/mol
LogP0.37
Rot. Bonds

About 4-methyl-2-oxa-4-azabicyclo[3.1.0]hexane-3-thione

4-methyl-2-oxa-4-azabicyclo[3.1.0]hexane-3-thione (PubChem CID 163991584) has the molecular formula C5H7NOS and a molecular weight of 129.18 g/mol. Its IUPAC name is 4-methyl-2-oxa-4-azabicyclo[3.1.0]hexane-3-thione.

Molecular Properties

Compound Name4-methyl-2-oxa-4-azabicyclo[3.1.0]hexane-3-thione
PubChem CID163991584
Molecular FormulaC5H7NOS
Molecular Weight129.18 g/mol
Exact Mass129.02
IUPAC Name4-methyl-2-oxa-4-azabicyclo[3.1.0]hexane-3-thione
SMILESCN1C(=S)OC2CC21
InChIInChI=1S/C5H7NOS/c1-6-3-2-4(3)7-5(6)8/h3-4H,2H2,1H3
InChIKeyUBBWJACHHSDFBY-UHFFFAOYSA-N
XLogP0.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-methyl-2-oxa-4-azabicyclo[3.1.0]hexane-3-thione?
The IUPAC name of 4-methyl-2-oxa-4-azabicyclo[3.1.0]hexane-3-thione (CID 163991584) is 4-methyl-2-oxa-4-azabicyclo[3.1.0]hexane-3-thione.
What is the SMILES notation for 4-methyl-2-oxa-4-azabicyclo[3.1.0]hexane-3-thione?
The canonical SMILES for 4-methyl-2-oxa-4-azabicyclo[3.1.0]hexane-3-thione is CN1C(=S)OC2CC21.
What is the InChIKey of 4-methyl-2-oxa-4-azabicyclo[3.1.0]hexane-3-thione?
The InChIKey is UBBWJACHHSDFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NOS/c1-6-3-2-4(3)7-5(6)8/h3-4H,2H2,1H3.
What are the key properties of 4-methyl-2-oxa-4-azabicyclo[3.1.0]hexane-3-thione?
4-methyl-2-oxa-4-azabicyclo[3.1.0]hexane-3-thione has a molecular weight of 129.18 g/mol, XLogP of 0.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxa-4-azabicyclo[3.1.0]hexane-3-thione is sourced from PubChem (CID 163991584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).