(2S,3R)-2,3-bis(sulfanylmethyl)oxiran-2-ol

C4H8O2S2 — CID 42627076

IUPAC(2S,3R)-2,3-bis(sulfanylmethyl)oxiran-2-ol
SMILESO[C@]1(CS)O[C@H]1CS
InChIInChI=1S/C4H8O2S2/c5-4(2-8)3(1-7)6-4/h3,5,7-8H,1-2H2/t3-,4+/m0/s1
InChIKeyROADAVWLDIEXBM-IUYQGCFVSA-N
MW152.24 g/mol
LogP-0.07
Rot. Bonds2

About (2S,3R)-2,3-bis(sulfanylmethyl)oxiran-2-ol

(2S,3R)-2,3-bis(sulfanylmethyl)oxiran-2-ol (PubChem CID 42627076) has the molecular formula C4H8O2S2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (2S,3R)-2,3-bis(sulfanylmethyl)oxiran-2-ol.

Molecular Properties

Compound Name(2S,3R)-2,3-bis(sulfanylmethyl)oxiran-2-ol
PubChem CID42627076
Molecular FormulaC4H8O2S2
Molecular Weight152.24 g/mol
Exact Mass152.00
IUPAC Name(2S,3R)-2,3-bis(sulfanylmethyl)oxiran-2-ol
SMILESO[C@]1(CS)O[C@H]1CS
InChIInChI=1S/C4H8O2S2/c5-4(2-8)3(1-7)6-4/h3,5,7-8H,1-2H2/t3-,4+/m0/s1
InChIKeyROADAVWLDIEXBM-IUYQGCFVSA-N
XLogP-0.07
TPSA32.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3-bis(sulfanylmethyl)oxiran-2-ol?
The IUPAC name of (2S,3R)-2,3-bis(sulfanylmethyl)oxiran-2-ol (CID 42627076) is (2S,3R)-2,3-bis(sulfanylmethyl)oxiran-2-ol.
What is the SMILES notation for (2S,3R)-2,3-bis(sulfanylmethyl)oxiran-2-ol?
The canonical SMILES for (2S,3R)-2,3-bis(sulfanylmethyl)oxiran-2-ol is O[C@]1(CS)O[C@H]1CS.
What is the InChIKey of (2S,3R)-2,3-bis(sulfanylmethyl)oxiran-2-ol?
The InChIKey is ROADAVWLDIEXBM-IUYQGCFVSA-N. The full InChI is InChI=1S/C4H8O2S2/c5-4(2-8)3(1-7)6-4/h3,5,7-8H,1-2H2/t3-,4+/m0/s1.
What are the key properties of (2S,3R)-2,3-bis(sulfanylmethyl)oxiran-2-ol?
(2S,3R)-2,3-bis(sulfanylmethyl)oxiran-2-ol has a molecular weight of 152.24 g/mol, XLogP of -0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3-bis(sulfanylmethyl)oxiran-2-ol is sourced from PubChem (CID 42627076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).