3,5-bis(thiiran-2-yl)-1,2,4-trithiane

C7H10S5 — CID 139938321

IUPAC3,5-bis(thiiran-2-yl)-1,2,4-trithiane
SMILESC1SC1C1CSSC(C2CS2)S1
InChIInChI=1S/C7H10S5/c1-4(8-1)5-3-10-12-7(11-5)6-2-9-6/h4-7H,1-3H2
InChIKeyNAXLLOGEMUDQOB-UHFFFAOYSA-N
MW254.49 g/mol
LogP3.04
Rot. Bonds2

About 3,5-bis(thiiran-2-yl)-1,2,4-trithiane

3,5-bis(thiiran-2-yl)-1,2,4-trithiane (PubChem CID 139938321) has the molecular formula C7H10S5 and a molecular weight of 254.49 g/mol. Its IUPAC name is 3,5-bis(thiiran-2-yl)-1,2,4-trithiane.

Molecular Properties

Compound Name3,5-bis(thiiran-2-yl)-1,2,4-trithiane
PubChem CID139938321
Molecular FormulaC7H10S5
Molecular Weight254.49 g/mol
Exact Mass253.94
IUPAC Name3,5-bis(thiiran-2-yl)-1,2,4-trithiane
SMILESC1SC1C1CSSC(C2CS2)S1
InChIInChI=1S/C7H10S5/c1-4(8-1)5-3-10-12-7(11-5)6-2-9-6/h4-7H,1-3H2
InChIKeyNAXLLOGEMUDQOB-UHFFFAOYSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.49
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'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
2,5-dithiabicyclo[2.1.0]pentane
CID 87692120
2,6-bis(thiiran-2-yl)thiane
CID 87706700
2,3-bis(thiiran-2-yl)thiirane;hydrate
CID 175321377
2-oxa-5-thiabicyclo[2.2.0]hexane
CID 118209566
2,4,8-trithiatricyclo[5.1.0.03,5]octane
CID 22931464
3-(dithietan-3-ylmethyl)dithietane
CID 18410063
2-(thiiran-2-yl)oxirane
CID 154083597
1,2,6,7,11,12,16,17-octathiacycloicosane-4,9,14,19-tetrol
CID 102163953
7-thia-3-azabicyclo[4.2.0]octane
CID 118210543
3-ethyl-5-methyl-1,2,4-trithiane
CID 6428999
4-propan-2-yl-3-propan-2-yloxydithiolane
CID 169266872

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(thiiran-2-yl)-1,2,4-trithiane?
The IUPAC name of 3,5-bis(thiiran-2-yl)-1,2,4-trithiane (CID 139938321) is 3,5-bis(thiiran-2-yl)-1,2,4-trithiane.
What is the SMILES notation for 3,5-bis(thiiran-2-yl)-1,2,4-trithiane?
The canonical SMILES for 3,5-bis(thiiran-2-yl)-1,2,4-trithiane is C1SC1C1CSSC(C2CS2)S1.
What is the InChIKey of 3,5-bis(thiiran-2-yl)-1,2,4-trithiane?
The InChIKey is NAXLLOGEMUDQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10S5/c1-4(8-1)5-3-10-12-7(11-5)6-2-9-6/h4-7H,1-3H2.
What are the key properties of 3,5-bis(thiiran-2-yl)-1,2,4-trithiane?
3,5-bis(thiiran-2-yl)-1,2,4-trithiane has a molecular weight of 254.49 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(thiiran-2-yl)-1,2,4-trithiane is sourced from PubChem (CID 139938321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).