3-[bis(thietan-3-yldisulfanyl)methyldisulfanyl]thietane

C10H16S9 — CID 122441305

IUPAC3-[bis(thietan-3-yldisulfanyl)methyldisulfanyl]thietane
SMILESC1SCC1SSC(SSC1CSC1)SSC1CSC1
InChIInChI=1S/C10H16S9/c1-7(2-11-1)14-17-10(18-15-8-3-12-4-8)19-16-9-5-13-6-9/h7-10H,1-6H2
InChIKeySUWOYTCHEFPBSL-UHFFFAOYSA-N
MW424.84 g/mol
LogP5.76
Rot. Bonds9

About 3-[bis(thietan-3-yldisulfanyl)methyldisulfanyl]thietane

3-[bis(thietan-3-yldisulfanyl)methyldisulfanyl]thietane (PubChem CID 122441305) has the molecular formula C10H16S9 and a molecular weight of 424.84 g/mol. Its IUPAC name is 3-[bis(thietan-3-yldisulfanyl)methyldisulfanyl]thietane.

Molecular Properties

Compound Name3-[bis(thietan-3-yldisulfanyl)methyldisulfanyl]thietane
PubChem CID122441305
Molecular FormulaC10H16S9
Molecular Weight424.84 g/mol
Exact Mass423.87
IUPAC Name3-[bis(thietan-3-yldisulfanyl)methyldisulfanyl]thietane
SMILESC1SCC1SSC(SSC1CSC1)SSC1CSC1
InChIInChI=1S/C10H16S9/c1-7(2-11-1)14-17-10(18-15-8-3-12-4-8)19-16-9-5-13-6-9/h7-10H,1-6H2
InChIKeySUWOYTCHEFPBSL-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.84
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

sulfanyl-tris(thietan-3-ylsulfanyl)phosphanium
CID 87267405
3-[disulfanyl(disulfanylmethylsulfanyl)methyl]sulfanylthietane
CID 146197995
CID 58271566
CID 58271566
5-acetylsulfanylthiane-3-carboxylic acid
CID 139880204
3,3-bis(thietan-3-ylsulfanyl)propanal
CID 141069543
2-(thietan-3-ylsulfanyl)-1,3,2-dithiazolidine
CID 143739617
thietan-3-yl-λ2-stannane
CID 173079136
2,2-bis(thietan-3-ylsulfanylmethyl)-1,3-dithiolane
CID 87568216
1-(thietan-3-ylsulfanyl)heptane-4-thiol
CID 141069532
2-(thietan-3-ylsulfanylmethyl)-1,4-dithiane
CID 146197998
tetrakis(thietan-3-ol);zirconium
CID 140598106
4-[(2-methylpropan-2-yl)oxycarbonyl]thiolane-3-carboxylic acid
CID 18953003

Frequently Asked Questions

What is the IUPAC name of 3-[bis(thietan-3-yldisulfanyl)methyldisulfanyl]thietane?
The IUPAC name of 3-[bis(thietan-3-yldisulfanyl)methyldisulfanyl]thietane (CID 122441305) is 3-[bis(thietan-3-yldisulfanyl)methyldisulfanyl]thietane.
What is the SMILES notation for 3-[bis(thietan-3-yldisulfanyl)methyldisulfanyl]thietane?
The canonical SMILES for 3-[bis(thietan-3-yldisulfanyl)methyldisulfanyl]thietane is C1SCC1SSC(SSC1CSC1)SSC1CSC1.
What is the InChIKey of 3-[bis(thietan-3-yldisulfanyl)methyldisulfanyl]thietane?
The InChIKey is SUWOYTCHEFPBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S9/c1-7(2-11-1)14-17-10(18-15-8-3-12-4-8)19-16-9-5-13-6-9/h7-10H,1-6H2.
What are the key properties of 3-[bis(thietan-3-yldisulfanyl)methyldisulfanyl]thietane?
3-[bis(thietan-3-yldisulfanyl)methyldisulfanyl]thietane has a molecular weight of 424.84 g/mol, XLogP of 5.76, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(thietan-3-yldisulfanyl)methyldisulfanyl]thietane is sourced from PubChem (CID 122441305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).