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

C4H10O2S2 — CID 91038530

IUPAC2,3-bis(sulfanyl)butane-1,1-diol
SMILESCC(S)C(S)C(O)O
InChIInChI=1S/C4H10O2S2/c1-2(7)3(8)4(5)6/h2-8H,1H3
InChIKeyFJVLLBVYAKZUIX-UHFFFAOYSA-N
MW154.26 g/mol
LogP-0.09
Rot. Bonds2

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

2,3-bis(sulfanyl)butane-1,1-diol (PubChem CID 91038530) has the molecular formula C4H10O2S2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2,3-bis(sulfanyl)butane-1,1-diol.

Molecular Properties

Compound Name2,3-bis(sulfanyl)butane-1,1-diol
PubChem CID91038530
Molecular FormulaC4H10O2S2
Molecular Weight154.26 g/mol
Exact Mass154.01
IUPAC Name2,3-bis(sulfanyl)butane-1,1-diol
SMILESCC(S)C(S)C(O)O
InChIInChI=1S/C4H10O2S2/c1-2(7)3(8)4(5)6/h2-8H,1H3
InChIKeyFJVLLBVYAKZUIX-UHFFFAOYSA-N
XLogP-0.09
TPSA40.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(sulfanyl)butane-1,1-diol?
The IUPAC name of 2,3-bis(sulfanyl)butane-1,1-diol (CID 91038530) is 2,3-bis(sulfanyl)butane-1,1-diol.
What is the SMILES notation for 2,3-bis(sulfanyl)butane-1,1-diol?
The canonical SMILES for 2,3-bis(sulfanyl)butane-1,1-diol is CC(S)C(S)C(O)O.
What is the InChIKey of 2,3-bis(sulfanyl)butane-1,1-diol?
The InChIKey is FJVLLBVYAKZUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2S2/c1-2(7)3(8)4(5)6/h2-8H,1H3.
What are the key properties of 2,3-bis(sulfanyl)butane-1,1-diol?
2,3-bis(sulfanyl)butane-1,1-diol has a molecular weight of 154.26 g/mol, XLogP of -0.09, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(sulfanyl)butane-1,1-diol is sourced from PubChem (CID 91038530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).