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

C8H20O4S4 — CID 138734522

IUPAC(2R,3S)-1,4-bis(sulfanyl)butane-2,3-diol
SMILESO[C@H](CS)[C@@H](O)CS.O[C@H](CS)[C@@H](O)CS
InChIInChI=1S/2C4H10O2S2/c2*5-3(1-7)4(6)2-8/h2*3-8H,1-2H2/t2*3-,4+
InChIKeyDCRJBUYBNCQKEE-IZAMPWMMSA-N
MW308.51 g/mol
LogP-0.86
Rot. Bonds6

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

(2R,3S)-1,4-bis(sulfanyl)butane-2,3-diol (PubChem CID 138734522) has the molecular formula C8H20O4S4 and a molecular weight of 308.51 g/mol. Its IUPAC name is (2R,3S)-1,4-bis(sulfanyl)butane-2,3-diol.

Molecular Properties

Compound Name(2R,3S)-1,4-bis(sulfanyl)butane-2,3-diol
PubChem CID138734522
Molecular FormulaC8H20O4S4
Molecular Weight308.51 g/mol
Exact Mass308.02
IUPAC Name(2R,3S)-1,4-bis(sulfanyl)butane-2,3-diol
SMILESO[C@H](CS)[C@@H](O)CS.O[C@H](CS)[C@@H](O)CS
InChIInChI=1S/2C4H10O2S2/c2*5-3(1-7)4(6)2-8/h2*3-8H,1-2H2/t2*3-,4+
InChIKeyDCRJBUYBNCQKEE-IZAMPWMMSA-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'}

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Related Compounds

Dithiothreitol
CID 439196
Dithioerythritol
CID 439352
D-1,4-Dithiothreitol
CID 446094
1,4-Dimercapto-2,3-butanediol
CID 19001
Dithioerythriol
CID 22796641
1,2-Propanediol, 3,3'-[(dimethylstannylene)bis(thio)]bis-
CID 86008094
DL-Dithiothreitol-d10
CID 16213290
1,2-Propanediol, 3,3'-[(dibutylstannylene)bis(thio)]bis-
CID 9576442
1,2,6,7,11,12,16,17-Octathiacycloicosane-4,9,14,19-tetrol
CID 102163953
1,2-Butanediol, 3,4-dimercapto-
CID 3027721
3,3'-Dithiobis(propane-1,2-diol)
CID 10846312
dl-Dithiothreitol
CID 448795

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1,4-bis(sulfanyl)butane-2,3-diol?
The IUPAC name of (2R,3S)-1,4-bis(sulfanyl)butane-2,3-diol (CID 138734522) is (2R,3S)-1,4-bis(sulfanyl)butane-2,3-diol.
What is the SMILES notation for (2R,3S)-1,4-bis(sulfanyl)butane-2,3-diol?
The canonical SMILES for (2R,3S)-1,4-bis(sulfanyl)butane-2,3-diol is O[C@H](CS)[C@@H](O)CS.O[C@H](CS)[C@@H](O)CS.
What is the InChIKey of (2R,3S)-1,4-bis(sulfanyl)butane-2,3-diol?
The InChIKey is DCRJBUYBNCQKEE-IZAMPWMMSA-N. The full InChI is InChI=1S/2C4H10O2S2/c2*5-3(1-7)4(6)2-8/h2*3-8H,1-2H2/t2*3-,4+.
What are the key properties of (2R,3S)-1,4-bis(sulfanyl)butane-2,3-diol?
(2R,3S)-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 (2R,3S)-1,4-bis(sulfanyl)butane-2,3-diol is sourced from PubChem (CID 138734522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).