(2R)-2-[2-[[(2S)-oxiran-2-yl]methylsulfanylmethyl]prop-2-enylsulfanylmethyl]oxirane

C10H16O2S2 — CID 54579194

IUPAC(2R)-2-[2-[[(2S)-oxiran-2-yl]methylsulfanylmethyl]prop-2-enylsulfanylmethyl]oxirane
SMILESC=C(CSC[C@H]1CO1)CSC[C@@H]1CO1
InChIInChI=1S/C10H16O2S2/c1-8(4-13-6-9-2-11-9)5-14-7-10-3-12-10/h9-10H,1-7H2/t9-,10+
InChIKeyXZPOXBBFTGQVQJ-AOOOYVTPSA-N
MW232.37 g/mol
LogP1.81
Rot. Bonds8

About (2R)-2-[2-[[(2S)-oxiran-2-yl]methylsulfanylmethyl]prop-2-enylsulfanylmethyl]oxirane

(2R)-2-[2-[[(2S)-oxiran-2-yl]methylsulfanylmethyl]prop-2-enylsulfanylmethyl]oxirane (PubChem CID 54579194) has the molecular formula C10H16O2S2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (2R)-2-[2-[[(2S)-oxiran-2-yl]methylsulfanylmethyl]prop-2-enylsulfanylmethyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[2-[[(2S)-oxiran-2-yl]methylsulfanylmethyl]prop-2-enylsulfanylmethyl]oxirane
PubChem CID54579194
Molecular FormulaC10H16O2S2
Molecular Weight232.37 g/mol
Exact Mass232.06
IUPAC Name(2R)-2-[2-[[(2S)-oxiran-2-yl]methylsulfanylmethyl]prop-2-enylsulfanylmethyl]oxirane
SMILESC=C(CSC[C@H]1CO1)CSC[C@@H]1CO1
InChIInChI=1S/C10H16O2S2/c1-8(4-13-6-9-2-11-9)5-14-7-10-3-12-10/h9-10H,1-7H2/t9-,10+
InChIKeyXZPOXBBFTGQVQJ-AOOOYVTPSA-N
XLogP1.81
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[[(2S)-oxiran-2-yl]methylsulfanylmethyl]prop-2-enylsulfanylmethyl]oxirane?
The IUPAC name of (2R)-2-[2-[[(2S)-oxiran-2-yl]methylsulfanylmethyl]prop-2-enylsulfanylmethyl]oxirane (CID 54579194) is (2R)-2-[2-[[(2S)-oxiran-2-yl]methylsulfanylmethyl]prop-2-enylsulfanylmethyl]oxirane.
What is the SMILES notation for (2R)-2-[2-[[(2S)-oxiran-2-yl]methylsulfanylmethyl]prop-2-enylsulfanylmethyl]oxirane?
The canonical SMILES for (2R)-2-[2-[[(2S)-oxiran-2-yl]methylsulfanylmethyl]prop-2-enylsulfanylmethyl]oxirane is C=C(CSC[C@H]1CO1)CSC[C@@H]1CO1.
What is the InChIKey of (2R)-2-[2-[[(2S)-oxiran-2-yl]methylsulfanylmethyl]prop-2-enylsulfanylmethyl]oxirane?
The InChIKey is XZPOXBBFTGQVQJ-AOOOYVTPSA-N. The full InChI is InChI=1S/C10H16O2S2/c1-8(4-13-6-9-2-11-9)5-14-7-10-3-12-10/h9-10H,1-7H2/t9-,10+.
What are the key properties of (2R)-2-[2-[[(2S)-oxiran-2-yl]methylsulfanylmethyl]prop-2-enylsulfanylmethyl]oxirane?
(2R)-2-[2-[[(2S)-oxiran-2-yl]methylsulfanylmethyl]prop-2-enylsulfanylmethyl]oxirane has a molecular weight of 232.37 g/mol, XLogP of 1.81, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[[(2S)-oxiran-2-yl]methylsulfanylmethyl]prop-2-enylsulfanylmethyl]oxirane is sourced from PubChem (CID 54579194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).