(2R,3R)-2,3,4-tris(sulfanyl)butan-1-ol

C4H10OS3 — CID 87534512

IUPAC(2R,3R)-2,3,4-tris(sulfanyl)butan-1-ol
SMILESOC[C@@H](S)[C@H](S)CS
InChIInChI=1S/C4H10OS3/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4-/m1/s1
InChIKeyIBZNMXNZLDBZHP-QWWZWVQMSA-N
MW170.32 g/mol
LogP0.51
Rot. Bonds3

About (2R,3R)-2,3,4-tris(sulfanyl)butan-1-ol

(2R,3R)-2,3,4-tris(sulfanyl)butan-1-ol (PubChem CID 87534512) has the molecular formula C4H10OS3 and a molecular weight of 170.32 g/mol. Its IUPAC name is (2R,3R)-2,3,4-tris(sulfanyl)butan-1-ol.

Molecular Properties

Compound Name(2R,3R)-2,3,4-tris(sulfanyl)butan-1-ol
PubChem CID87534512
Molecular FormulaC4H10OS3
Molecular Weight170.32 g/mol
Exact Mass169.99
IUPAC Name(2R,3R)-2,3,4-tris(sulfanyl)butan-1-ol
SMILESOC[C@@H](S)[C@H](S)CS
InChIInChI=1S/C4H10OS3/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4-/m1/s1
InChIKeyIBZNMXNZLDBZHP-QWWZWVQMSA-N
XLogP0.51
TPSA20.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,3R)-2,3,4-tris(sulfanyl)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3,4-tris(sulfanyl)butan-1-ol?
The IUPAC name of (2R,3R)-2,3,4-tris(sulfanyl)butan-1-ol (CID 87534512) is (2R,3R)-2,3,4-tris(sulfanyl)butan-1-ol.
What is the SMILES notation for (2R,3R)-2,3,4-tris(sulfanyl)butan-1-ol?
The canonical SMILES for (2R,3R)-2,3,4-tris(sulfanyl)butan-1-ol is OC[C@@H](S)[C@H](S)CS.
What is the InChIKey of (2R,3R)-2,3,4-tris(sulfanyl)butan-1-ol?
The InChIKey is IBZNMXNZLDBZHP-QWWZWVQMSA-N. The full InChI is InChI=1S/C4H10OS3/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4-/m1/s1.
What are the key properties of (2R,3R)-2,3,4-tris(sulfanyl)butan-1-ol?
(2R,3R)-2,3,4-tris(sulfanyl)butan-1-ol has a molecular weight of 170.32 g/mol, XLogP of 0.51, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3,4-tris(sulfanyl)butan-1-ol is sourced from PubChem (CID 87534512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).