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

C4H10O2S2 — CID 10844611

IUPAC(2R,3R)-2,3-bis(sulfanyl)butane-1,4-diol
SMILESOC[C@@H](S)[C@H](S)CO
InChIInChI=1S/C4H10O2S2/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4-/m1/s1
InChIKeyIMVJCTWESJIARS-QWWZWVQMSA-N
MW154.26 g/mol
LogP-0.43
Rot. Bonds3

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

(2R,3R)-2,3-bis(sulfanyl)butane-1,4-diol (PubChem CID 10844611) has the molecular formula C4H10O2S2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (2R,3R)-2,3-bis(sulfanyl)butane-1,4-diol.

Molecular Properties

Compound Name(2R,3R)-2,3-bis(sulfanyl)butane-1,4-diol
PubChem CID10844611
Molecular FormulaC4H10O2S2
Molecular Weight154.26 g/mol
Exact Mass154.01
IUPAC Name(2R,3R)-2,3-bis(sulfanyl)butane-1,4-diol
SMILESOC[C@@H](S)[C@H](S)CO
InChIInChI=1S/C4H10O2S2/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4-/m1/s1
InChIKeyIMVJCTWESJIARS-QWWZWVQMSA-N
XLogP-0.43
TPSA40.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 5-0.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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,3R)-2,3-bis(sulfanyl)butane-1,4-diol?
The IUPAC name of (2R,3R)-2,3-bis(sulfanyl)butane-1,4-diol (CID 10844611) is (2R,3R)-2,3-bis(sulfanyl)butane-1,4-diol.
What is the SMILES notation for (2R,3R)-2,3-bis(sulfanyl)butane-1,4-diol?
The canonical SMILES for (2R,3R)-2,3-bis(sulfanyl)butane-1,4-diol is OC[C@@H](S)[C@H](S)CO.
What is the InChIKey of (2R,3R)-2,3-bis(sulfanyl)butane-1,4-diol?
The InChIKey is IMVJCTWESJIARS-QWWZWVQMSA-N. The full InChI is InChI=1S/C4H10O2S2/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-bis(sulfanyl)butane-1,4-diol?
(2R,3R)-2,3-bis(sulfanyl)butane-1,4-diol has a molecular weight of 154.26 g/mol, XLogP of -0.43, 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-bis(sulfanyl)butane-1,4-diol is sourced from PubChem (CID 10844611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).