2-oxa-5-thiabicyclo[2.2.0]hexane

C4H6OS — CID 118209566

IUPAC2-oxa-5-thiabicyclo[2.2.0]hexane
SMILESC1SC2COC12
InChIInChI=1S/C4H6OS/c1-4-3(5-1)2-6-4/h3-4H,1-2H2
InChIKeyCMOSHCSNRCLAQG-UHFFFAOYSA-N
MW102.16 g/mol
LogP0.50
Rot. Bonds

About 2-oxa-5-thiabicyclo[2.2.0]hexane

2-oxa-5-thiabicyclo[2.2.0]hexane (PubChem CID 118209566) has the molecular formula C4H6OS and a molecular weight of 102.16 g/mol. Its IUPAC name is 2-oxa-5-thiabicyclo[2.2.0]hexane.

Molecular Properties

Compound Name2-oxa-5-thiabicyclo[2.2.0]hexane
PubChem CID118209566
Molecular FormulaC4H6OS
Molecular Weight102.16 g/mol
Exact Mass102.01
IUPAC Name2-oxa-5-thiabicyclo[2.2.0]hexane
SMILESC1SC2COC12
InChIInChI=1S/C4H6OS/c1-4-3(5-1)2-6-4/h3-4H,1-2H2
InChIKeyCMOSHCSNRCLAQG-UHFFFAOYSA-N
XLogP0.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.16
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-oxa-5-thiabicyclo[2.2.0]hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(thiiran-2-yl)oxirane
CID 154083597
2,4-bis(thiiran-2-yl)-1,3-dithietane
CID 139938320
5,7-bis(2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxine
CID 101342011
3,3a,5,6,7,7a-hexahydro-2H-thieno[3,2-b]pyran
CID 118210349
2,3-bis(thiiran-2-yl)thiirane;hydrate
CID 175321377
(1R,4R,7S,8R)-2,5-dioxabicyclo[2.2.2]octane-7,8-diol
CID 50930799
3,5-bis(thiiran-2-yl)-1,2,4-trithiane
CID 139938321
2,5-dioxa-8-thiabicyclo[5.2.1]decane
CID 118210370
3,6,9,12,15,18,21,24-octaoxabicyclo[12.10.0]tetracosane
CID 552594
3a,4,5,6,7,7a-hexahydrobenzo[d][1,3]oxathiole
CID 67194939
2,6-bis(thiiran-2-yl)thiane
CID 87706700
2-(oxiran-2-yl)oxolane
CID 18759351

Frequently Asked Questions

What is the IUPAC name of 2-oxa-5-thiabicyclo[2.2.0]hexane?
The IUPAC name of 2-oxa-5-thiabicyclo[2.2.0]hexane (CID 118209566) is 2-oxa-5-thiabicyclo[2.2.0]hexane.
What is the SMILES notation for 2-oxa-5-thiabicyclo[2.2.0]hexane?
The canonical SMILES for 2-oxa-5-thiabicyclo[2.2.0]hexane is C1SC2COC12.
What is the InChIKey of 2-oxa-5-thiabicyclo[2.2.0]hexane?
The InChIKey is CMOSHCSNRCLAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6OS/c1-4-3(5-1)2-6-4/h3-4H,1-2H2.
What are the key properties of 2-oxa-5-thiabicyclo[2.2.0]hexane?
2-oxa-5-thiabicyclo[2.2.0]hexane has a molecular weight of 102.16 g/mol, XLogP of 0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-5-thiabicyclo[2.2.0]hexane is sourced from PubChem (CID 118209566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).