2-[1-[1-(thiiran-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]thiirane

C10H18S5 — CID 166746476

IUPAC2-[1-[1-(thiiran-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]thiirane
SMILESCC(SCC1CS1)SC(C)SCC1CS1
InChIInChI=1S/C10H18S5/c1-7(11-3-9-5-13-9)15-8(2)12-4-10-6-14-10/h7-10H,3-6H2,1-2H3
InChIKeyRPMXSRAYKOEDMB-UHFFFAOYSA-N
MW298.59 g/mol
LogP4.11
Rot. Bonds8

About 2-[1-[1-(thiiran-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]thiirane

2-[1-[1-(thiiran-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]thiirane (PubChem CID 166746476) has the molecular formula C10H18S5 and a molecular weight of 298.59 g/mol. Its IUPAC name is 2-[1-[1-(thiiran-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]thiirane.

Molecular Properties

Compound Name2-[1-[1-(thiiran-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]thiirane
PubChem CID166746476
Molecular FormulaC10H18S5
Molecular Weight298.59 g/mol
Exact Mass298.00
IUPAC Name2-[1-[1-(thiiran-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]thiirane
SMILESCC(SCC1CS1)SC(C)SCC1CS1
InChIInChI=1S/C10H18S5/c1-7(11-3-9-5-13-9)15-8(2)12-4-10-6-14-10/h7-10H,3-6H2,1-2H3
InChIKeyRPMXSRAYKOEDMB-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.59
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(thiiran-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]thiirane?
The IUPAC name of 2-[1-[1-(thiiran-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]thiirane (CID 166746476) is 2-[1-[1-(thiiran-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]thiirane.
What is the SMILES notation for 2-[1-[1-(thiiran-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]thiirane?
The canonical SMILES for 2-[1-[1-(thiiran-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]thiirane is CC(SCC1CS1)SC(C)SCC1CS1.
What is the InChIKey of 2-[1-[1-(thiiran-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]thiirane?
The InChIKey is RPMXSRAYKOEDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S5/c1-7(11-3-9-5-13-9)15-8(2)12-4-10-6-14-10/h7-10H,3-6H2,1-2H3.
What are the key properties of 2-[1-[1-(thiiran-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]thiirane?
2-[1-[1-(thiiran-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]thiirane has a molecular weight of 298.59 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(thiiran-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]thiirane is sourced from PubChem (CID 166746476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).