2-(thiiran-2-yl)oxirane

C4H6OS — CID 154083597

IUPAC2-(thiiran-2-yl)oxirane
SMILESC1OC1C1CS1
InChIInChI=1S/C4H6OS/c1-3(5-1)4-2-6-4/h3-4H,1-2H2
InChIKeyMQDBSZMXPLOTRY-UHFFFAOYSA-N
MW102.16 g/mol
LogP0.50
Rot. Bonds1

About 2-(thiiran-2-yl)oxirane

2-(thiiran-2-yl)oxirane (PubChem CID 154083597) has the molecular formula C4H6OS and a molecular weight of 102.16 g/mol. Its IUPAC name is 2-(thiiran-2-yl)oxirane.

Molecular Properties

Compound Name2-(thiiran-2-yl)oxirane
PubChem CID154083597
Molecular FormulaC4H6OS
Molecular Weight102.16 g/mol
Exact Mass102.01
IUPAC Name2-(thiiran-2-yl)oxirane
SMILESC1OC1C1CS1
InChIInChI=1S/C4H6OS/c1-3(5-1)4-2-6-4/h3-4H,1-2H2
InChIKeyMQDBSZMXPLOTRY-UHFFFAOYSA-N
XLogP0.50
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-oxa-5-thiabicyclo[2.2.0]hexane
CID 118209566
2,4-bis(thiiran-2-yl)-1,3-dithietane
CID 139938320
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
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
3a,4,5,6,7,7a-hexahydrobenzo[d][1,3]oxathiole
CID 67194939
2-[2,4-bis(oxiran-2-yl)cyclopentyl]oxirane
CID 90112010
2,6-bis(thiiran-2-yl)thiane
CID 87706700
2-(oxiran-2-yl)oxolane
CID 18759351
(1R,4S,11S,14R)-3,12,15,16-tetraoxa-6,9-dithiatricyclo[9.3.1.14,14]hexadecane
CID 102330892
2-(3-methylcyclopentyl)oxirane;3-methyl-6-thiabicyclo[3.1.0]hexane
CID 143018600
oxathiolan-4-amine
CID 123303967

Frequently Asked Questions

What is the IUPAC name of 2-(thiiran-2-yl)oxirane?
The IUPAC name of 2-(thiiran-2-yl)oxirane (CID 154083597) is 2-(thiiran-2-yl)oxirane.
What is the SMILES notation for 2-(thiiran-2-yl)oxirane?
The canonical SMILES for 2-(thiiran-2-yl)oxirane is C1OC1C1CS1.
What is the InChIKey of 2-(thiiran-2-yl)oxirane?
The InChIKey is MQDBSZMXPLOTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6OS/c1-3(5-1)4-2-6-4/h3-4H,1-2H2.
What are the key properties of 2-(thiiran-2-yl)oxirane?
2-(thiiran-2-yl)oxirane has a molecular weight of 102.16 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiiran-2-yl)oxirane is sourced from PubChem (CID 154083597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).