(1S)-1-[[(1S)-1-hydroxyethyl]disulfanyl]ethanol

C4H10O2S2 — CID 175162225

IUPAC(1S)-1-[[(1S)-1-hydroxyethyl]disulfanyl]ethanol
SMILESC[C@@H](O)SS[C@@H](C)O
InChIInChI=1S/C4H10O2S2/c1-3(5)7-8-4(2)6/h3-6H,1-2H3/t3-,4-/m0/s1
InChIKeyIWCRYIXHHYEJPR-IMJSIDKUSA-N
MW154.26 g/mol
LogP1.04
Rot. Bonds3

About (1S)-1-[[(1S)-1-hydroxyethyl]disulfanyl]ethanol

(1S)-1-[[(1S)-1-hydroxyethyl]disulfanyl]ethanol (PubChem CID 175162225) has the molecular formula C4H10O2S2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (1S)-1-[[(1S)-1-hydroxyethyl]disulfanyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[[(1S)-1-hydroxyethyl]disulfanyl]ethanol
PubChem CID175162225
Molecular FormulaC4H10O2S2
Molecular Weight154.26 g/mol
Exact Mass154.01
IUPAC Name(1S)-1-[[(1S)-1-hydroxyethyl]disulfanyl]ethanol
SMILESC[C@@H](O)SS[C@@H](C)O
InChIInChI=1S/C4H10O2S2/c1-3(5)7-8-4(2)6/h3-6H,1-2H3/t3-,4-/m0/s1
InChIKeyIWCRYIXHHYEJPR-IMJSIDKUSA-N
XLogP1.04
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[[(1S)-1-hydroxyethyl]disulfanyl]ethanol?
The IUPAC name of (1S)-1-[[(1S)-1-hydroxyethyl]disulfanyl]ethanol (CID 175162225) is (1S)-1-[[(1S)-1-hydroxyethyl]disulfanyl]ethanol.
What is the SMILES notation for (1S)-1-[[(1S)-1-hydroxyethyl]disulfanyl]ethanol?
The canonical SMILES for (1S)-1-[[(1S)-1-hydroxyethyl]disulfanyl]ethanol is C[C@@H](O)SS[C@@H](C)O.
What is the InChIKey of (1S)-1-[[(1S)-1-hydroxyethyl]disulfanyl]ethanol?
The InChIKey is IWCRYIXHHYEJPR-IMJSIDKUSA-N. The full InChI is InChI=1S/C4H10O2S2/c1-3(5)7-8-4(2)6/h3-6H,1-2H3/t3-,4-/m0/s1.
What are the key properties of (1S)-1-[[(1S)-1-hydroxyethyl]disulfanyl]ethanol?
(1S)-1-[[(1S)-1-hydroxyethyl]disulfanyl]ethanol has a molecular weight of 154.26 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[[(1S)-1-hydroxyethyl]disulfanyl]ethanol is sourced from PubChem (CID 175162225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).