(2R)-2,3-bis(sulfanyl)propan-1-ol

C3H8OS2 — CID 6971262

IUPAC(2R)-2,3-bis(sulfanyl)propan-1-ol
SMILESOC[C@@H](S)CS
InChIInChI=1S/C3H8OS2/c4-1-3(6)2-5/h3-6H,1-2H2/t3-/m1/s1
InChIKeyWQABCVAJNWAXTE-GSVOUGTGSA-N
MW124.23 g/mol
LogP0.21
Rot. Bonds2

About (2R)-2,3-bis(sulfanyl)propan-1-ol

(2R)-2,3-bis(sulfanyl)propan-1-ol (PubChem CID 6971262) has the molecular formula C3H8OS2 and a molecular weight of 124.23 g/mol. Its IUPAC name is (2R)-2,3-bis(sulfanyl)propan-1-ol.

Molecular Properties

Compound Name(2R)-2,3-bis(sulfanyl)propan-1-ol
PubChem CID6971262
Molecular FormulaC3H8OS2
Molecular Weight124.23 g/mol
Exact Mass124.00
IUPAC Name(2R)-2,3-bis(sulfanyl)propan-1-ol
SMILESOC[C@@H](S)CS
InChIInChI=1S/C3H8OS2/c4-1-3(6)2-5/h3-6H,1-2H2/t3-/m1/s1
InChIKeyWQABCVAJNWAXTE-GSVOUGTGSA-N
XLogP0.21
TPSA20.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,3-bis(sulfanyl)propan-1-ol?
The IUPAC name of (2R)-2,3-bis(sulfanyl)propan-1-ol (CID 6971262) is (2R)-2,3-bis(sulfanyl)propan-1-ol.
What is the SMILES notation for (2R)-2,3-bis(sulfanyl)propan-1-ol?
The canonical SMILES for (2R)-2,3-bis(sulfanyl)propan-1-ol is OC[C@@H](S)CS.
What is the InChIKey of (2R)-2,3-bis(sulfanyl)propan-1-ol?
The InChIKey is WQABCVAJNWAXTE-GSVOUGTGSA-N. The full InChI is InChI=1S/C3H8OS2/c4-1-3(6)2-5/h3-6H,1-2H2/t3-/m1/s1.
What are the key properties of (2R)-2,3-bis(sulfanyl)propan-1-ol?
(2R)-2,3-bis(sulfanyl)propan-1-ol has a molecular weight of 124.23 g/mol, XLogP of 0.21, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3-bis(sulfanyl)propan-1-ol is sourced from PubChem (CID 6971262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).