2-[2-[2-(thietan-3-ylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]oxirane

C10H18OS4 — CID 87433192

IUPAC2-[2-[2-(thietan-3-ylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]oxirane
SMILESC(CSCC1CO1)SCCSC1CSC1
InChIInChI=1S/C10H18OS4/c1(2-13-6-9-5-11-9)12-3-4-15-10-7-14-8-10/h9-10H,1-8H2
InChIKeyUHOGKBURPXAPFF-UHFFFAOYSA-N
MW282.52 g/mol
LogP2.70
Rot. Bonds9

About 2-[2-[2-(thietan-3-ylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]oxirane

2-[2-[2-(thietan-3-ylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]oxirane (PubChem CID 87433192) has the molecular formula C10H18OS4 and a molecular weight of 282.52 g/mol. Its IUPAC name is 2-[2-[2-(thietan-3-ylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]oxirane.

Molecular Properties

Compound Name2-[2-[2-(thietan-3-ylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]oxirane
PubChem CID87433192
Molecular FormulaC10H18OS4
Molecular Weight282.52 g/mol
Exact Mass282.02
IUPAC Name2-[2-[2-(thietan-3-ylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]oxirane
SMILESC(CSCC1CO1)SCCSC1CSC1
InChIInChI=1S/C10H18OS4/c1(2-13-6-9-5-11-9)12-3-4-15-10-7-14-8-10/h9-10H,1-8H2
InChIKeyUHOGKBURPXAPFF-UHFFFAOYSA-N
XLogP2.70
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[2-[2-(thietan-3-ylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]oxirane?
The IUPAC name of 2-[2-[2-(thietan-3-ylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]oxirane (CID 87433192) is 2-[2-[2-(thietan-3-ylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]oxirane.
What is the SMILES notation for 2-[2-[2-(thietan-3-ylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]oxirane?
The canonical SMILES for 2-[2-[2-(thietan-3-ylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]oxirane is C(CSCC1CO1)SCCSC1CSC1.
What is the InChIKey of 2-[2-[2-(thietan-3-ylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]oxirane?
The InChIKey is UHOGKBURPXAPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS4/c1(2-13-6-9-5-11-9)12-3-4-15-10-7-14-8-10/h9-10H,1-8H2.
What are the key properties of 2-[2-[2-(thietan-3-ylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]oxirane?
2-[2-[2-(thietan-3-ylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]oxirane has a molecular weight of 282.52 g/mol, XLogP of 2.70, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(thietan-3-ylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]oxirane is sourced from PubChem (CID 87433192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).