2,3-bis(thiiran-2-yl)thiirane;hydrate

C6H10OS3 — CID 175321377

IUPAC2,3-bis(thiiran-2-yl)thiirane;hydrate
SMILESC1SC1C1SC1C1CS1.O
InChIInChI=1S/C6H8S3.H2O/c1-3(7-1)5-6(9-5)4-2-8-4;/h3-6H,1-2H2;1H2
InChIKeyXEZBYFISULLTLG-UHFFFAOYSA-N
MW194.35 g/mol
LogP0.88
Rot. Bonds2

About 2,3-bis(thiiran-2-yl)thiirane;hydrate

2,3-bis(thiiran-2-yl)thiirane;hydrate (PubChem CID 175321377) has the molecular formula C6H10OS3 and a molecular weight of 194.35 g/mol. Its IUPAC name is 2,3-bis(thiiran-2-yl)thiirane;hydrate.

Molecular Properties

Compound Name2,3-bis(thiiran-2-yl)thiirane;hydrate
PubChem CID175321377
Molecular FormulaC6H10OS3
Molecular Weight194.35 g/mol
Exact Mass193.99
IUPAC Name2,3-bis(thiiran-2-yl)thiirane;hydrate
SMILESC1SC1C1SC1C1CS1.O
InChIInChI=1S/C6H8S3.H2O/c1-3(7-1)5-6(9-5)4-2-8-4;/h3-6H,1-2H2;1H2
InChIKeyXEZBYFISULLTLG-UHFFFAOYSA-N
XLogP0.88
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.35
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-bis(thiiran-2-yl)-1,3-dithietane
CID 139938320
2,6-bis(thiiran-2-yl)thiane
CID 87706700
2,5-dithiabicyclo[2.1.0]pentane
CID 87692120
3,5-bis(thiiran-2-yl)-1,2,4-trithiane
CID 139938321
2-(thiiran-2-yl)oxirane
CID 154083597
2-oxa-5-thiabicyclo[2.2.0]hexane
CID 118209566
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
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
2,5-dithiabicyclo[2.2.2]octane
CID 175742422

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(thiiran-2-yl)thiirane;hydrate?
The IUPAC name of 2,3-bis(thiiran-2-yl)thiirane;hydrate (CID 175321377) is 2,3-bis(thiiran-2-yl)thiirane;hydrate.
What is the SMILES notation for 2,3-bis(thiiran-2-yl)thiirane;hydrate?
The canonical SMILES for 2,3-bis(thiiran-2-yl)thiirane;hydrate is C1SC1C1SC1C1CS1.O.
What is the InChIKey of 2,3-bis(thiiran-2-yl)thiirane;hydrate?
The InChIKey is XEZBYFISULLTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8S3.H2O/c1-3(7-1)5-6(9-5)4-2-8-4;/h3-6H,1-2H2;1H2.
What are the key properties of 2,3-bis(thiiran-2-yl)thiirane;hydrate?
2,3-bis(thiiran-2-yl)thiirane;hydrate has a molecular weight of 194.35 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(thiiran-2-yl)thiirane;hydrate is sourced from PubChem (CID 175321377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).