2,4-bis(thiiran-2-yl)-1,3-dithietane

C6H8S4 — CID 139938320

IUPAC2,4-bis(thiiran-2-yl)-1,3-dithietane
SMILESC1SC1C1SC(C2CS2)S1
InChIInChI=1S/C6H8S4/c1-3(7-1)5-9-6(10-5)4-2-8-4/h3-6H,1-2H2
InChIKeyULDRMQCVEGMUDN-UHFFFAOYSA-N
MW208.40 g/mol
LogP2.35
Rot. Bonds2

About 2,4-bis(thiiran-2-yl)-1,3-dithietane

2,4-bis(thiiran-2-yl)-1,3-dithietane (PubChem CID 139938320) has the molecular formula C6H8S4 and a molecular weight of 208.40 g/mol. Its IUPAC name is 2,4-bis(thiiran-2-yl)-1,3-dithietane.

Molecular Properties

Compound Name2,4-bis(thiiran-2-yl)-1,3-dithietane
PubChem CID139938320
Molecular FormulaC6H8S4
Molecular Weight208.40 g/mol
Exact Mass207.95
IUPAC Name2,4-bis(thiiran-2-yl)-1,3-dithietane
SMILESC1SC1C1SC(C2CS2)S1
InChIInChI=1S/C6H8S4/c1-3(7-1)5-9-6(10-5)4-2-8-4/h3-6H,1-2H2
InChIKeyULDRMQCVEGMUDN-UHFFFAOYSA-N
XLogP2.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.40
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-bis(thiiran-2-yl)-1,2,4-trithiane
CID 139938321
2,5-dithiabicyclo[2.1.0]pentane
CID 87692120
2,4,8-trithiatricyclo[5.1.0.03,5]octane
CID 22931464
2,3-bis(thiiran-2-yl)thiirane;hydrate
CID 175321377
2,6-bis(thiiran-2-yl)thiane
CID 87706700
2-oxa-5-thiabicyclo[2.2.0]hexane
CID 118209566
2-(thiiran-2-yl)oxirane
CID 154083597
2-chlorothiirane
CID 11240430
2,6,7-trithiabicyclo[2.2.1]heptane
CID 89429207
(1R,4R,6R)-6-[[(1R,4S,6R)-2-thiabicyclo[2.2.1]heptan-6-yl]oxy]-2-thiabicyclo[2.2.1]heptane
CID 131883181
7-thia-3-azabicyclo[4.2.0]octane
CID 118210543
5,6-diethyl-1,4-dithian-2-ol
CID 58105778

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(thiiran-2-yl)-1,3-dithietane?
The IUPAC name of 2,4-bis(thiiran-2-yl)-1,3-dithietane (CID 139938320) is 2,4-bis(thiiran-2-yl)-1,3-dithietane.
What is the SMILES notation for 2,4-bis(thiiran-2-yl)-1,3-dithietane?
The canonical SMILES for 2,4-bis(thiiran-2-yl)-1,3-dithietane is C1SC1C1SC(C2CS2)S1.
What is the InChIKey of 2,4-bis(thiiran-2-yl)-1,3-dithietane?
The InChIKey is ULDRMQCVEGMUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8S4/c1-3(7-1)5-9-6(10-5)4-2-8-4/h3-6H,1-2H2.
What are the key properties of 2,4-bis(thiiran-2-yl)-1,3-dithietane?
2,4-bis(thiiran-2-yl)-1,3-dithietane has a molecular weight of 208.40 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(thiiran-2-yl)-1,3-dithietane is sourced from PubChem (CID 139938320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).