1,3-dioxa-2λ4,7,11-trithiacyclotetradecane 2-oxide

C9H18O3S3 — CID 132605089

IUPAC1,3-dioxa-2λ4,7,11-trithiacyclotetradecane 2-oxide
SMILESO=S1OCCCSCCCSCCCO1
InChIInChI=1S/C9H18O3S3/c10-15-11-4-1-6-13-8-3-9-14-7-2-5-12-15/h1-9H2
InChIKeyMPRBCLSFXOFICF-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.25
Rot. Bonds

About 1,3-dioxa-2λ4,7,11-trithiacyclotetradecane 2-oxide

1,3-dioxa-2λ4,7,11-trithiacyclotetradecane 2-oxide (PubChem CID 132605089) has the molecular formula C9H18O3S3 and a molecular weight of 270.44 g/mol. Its IUPAC name is 1,3-dioxa-2λ4,7,11-trithiacyclotetradecane 2-oxide.

Molecular Properties

Compound Name1,3-dioxa-2λ4,7,11-trithiacyclotetradecane 2-oxide
PubChem CID132605089
Molecular FormulaC9H18O3S3
Molecular Weight270.44 g/mol
Exact Mass270.04
IUPAC Name1,3-dioxa-2λ4,7,11-trithiacyclotetradecane 2-oxide
SMILESO=S1OCCCSCCCSCCCO1
InChIInChI=1S/C9H18O3S3/c10-15-11-4-1-6-13-8-3-9-14-7-2-5-12-15/h1-9H2
InChIKeyMPRBCLSFXOFICF-UHFFFAOYSA-N
XLogP2.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-dithiocane
CID 5259509
1,5-dioxa-9,13-dithiacyclohexadecane-2,4-dione
CID 12513968
1,2,6,10,11,15-hexathiacyclooctadecane
CID 12691715
1,4,8-trithiacyclotetradecane
CID 21459618
1,3,2-dioxathiolane 2-oxide;ethene;thiolane 1,1-dioxide
CID 88780023
thiacyclotridecane
CID 12543972
thiane
CID 70180368
gold;thiolane
CID 87289980
thiacyclononacosane
CID 68502335
oxane;thiane
CID 67464677
dioxotitanium;thiolane
CID 174292594
1,3,6,10-tetrathiacyclododecane
CID 14957852

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxa-2λ4,7,11-trithiacyclotetradecane 2-oxide?
The IUPAC name of 1,3-dioxa-2λ4,7,11-trithiacyclotetradecane 2-oxide (CID 132605089) is 1,3-dioxa-2λ4,7,11-trithiacyclotetradecane 2-oxide.
What is the SMILES notation for 1,3-dioxa-2λ4,7,11-trithiacyclotetradecane 2-oxide?
The canonical SMILES for 1,3-dioxa-2λ4,7,11-trithiacyclotetradecane 2-oxide is O=S1OCCCSCCCSCCCO1.
What is the InChIKey of 1,3-dioxa-2λ4,7,11-trithiacyclotetradecane 2-oxide?
The InChIKey is MPRBCLSFXOFICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3S3/c10-15-11-4-1-6-13-8-3-9-14-7-2-5-12-15/h1-9H2.
What are the key properties of 1,3-dioxa-2λ4,7,11-trithiacyclotetradecane 2-oxide?
1,3-dioxa-2λ4,7,11-trithiacyclotetradecane 2-oxide has a molecular weight of 270.44 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxa-2λ4,7,11-trithiacyclotetradecane 2-oxide is sourced from PubChem (CID 132605089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).