1,4-bis(sulfanyl)butane-2,3-diol

C8H20O4S4 — CID 75627643

IUPAC1,4-bis(sulfanyl)butane-2,3-diol
SMILESOC(CS)C(O)CS.OC(CS)C(O)CS
InChIInChI=1S/2C4H10O2S2/c2*5-3(1-7)4(6)2-8/h2*3-8H,1-2H2
InChIKeyDCRJBUYBNCQKEE-UHFFFAOYSA-N
MW308.51 g/mol
LogP-0.86
Rot. Bonds6

About 1,4-bis(sulfanyl)butane-2,3-diol

1,4-bis(sulfanyl)butane-2,3-diol (PubChem CID 75627643) has the molecular formula C8H20O4S4 and a molecular weight of 308.51 g/mol. Its IUPAC name is 1,4-bis(sulfanyl)butane-2,3-diol.

Molecular Properties

Compound Name1,4-bis(sulfanyl)butane-2,3-diol
PubChem CID75627643
Molecular FormulaC8H20O4S4
Molecular Weight308.51 g/mol
Exact Mass308.02
IUPAC Name1,4-bis(sulfanyl)butane-2,3-diol
SMILESOC(CS)C(O)CS.OC(CS)C(O)CS
InChIInChI=1S/2C4H10O2S2/c2*5-3(1-7)4(6)2-8/h2*3-8H,1-2H2
InChIKeyDCRJBUYBNCQKEE-UHFFFAOYSA-N
XLogP-0.86
TPSA80.92 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 5-0.86
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1,4-bis(sulfanyl)butane-2,3-diol 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 1,4-bis(sulfanyl)butane-2,3-diol?
The IUPAC name of 1,4-bis(sulfanyl)butane-2,3-diol (CID 75627643) is 1,4-bis(sulfanyl)butane-2,3-diol.
What is the SMILES notation for 1,4-bis(sulfanyl)butane-2,3-diol?
The canonical SMILES for 1,4-bis(sulfanyl)butane-2,3-diol is OC(CS)C(O)CS.OC(CS)C(O)CS.
What is the InChIKey of 1,4-bis(sulfanyl)butane-2,3-diol?
The InChIKey is DCRJBUYBNCQKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10O2S2/c2*5-3(1-7)4(6)2-8/h2*3-8H,1-2H2.
What are the key properties of 1,4-bis(sulfanyl)butane-2,3-diol?
1,4-bis(sulfanyl)butane-2,3-diol has a molecular weight of 308.51 g/mol, XLogP of -0.86, 6 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(sulfanyl)butane-2,3-diol is sourced from PubChem (CID 75627643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).