(2R,3S)-4-(disulfanyl)-3-sulfanylbutane-1,2-diol

C4H10O2S3 — CID 54058685

IUPAC(2R,3S)-4-(disulfanyl)-3-sulfanylbutane-1,2-diol
SMILESOC[C@@H](O)[C@H](S)CSS
InChIInChI=1S/C4H10O2S3/c5-1-3(6)4(7)2-9-8/h3-8H,1-2H2/t3-,4-/m1/s1
InChIKeyLYCBUNKPKZCJOU-QWWZWVQMSA-N
MW186.32 g/mol
LogP0.22
Rot. Bonds4

About (2R,3S)-4-(disulfanyl)-3-sulfanylbutane-1,2-diol

(2R,3S)-4-(disulfanyl)-3-sulfanylbutane-1,2-diol (PubChem CID 54058685) has the molecular formula C4H10O2S3 and a molecular weight of 186.32 g/mol. Its IUPAC name is (2R,3S)-4-(disulfanyl)-3-sulfanylbutane-1,2-diol.

Molecular Properties

Compound Name(2R,3S)-4-(disulfanyl)-3-sulfanylbutane-1,2-diol
PubChem CID54058685
Molecular FormulaC4H10O2S3
Molecular Weight186.32 g/mol
Exact Mass185.98
IUPAC Name(2R,3S)-4-(disulfanyl)-3-sulfanylbutane-1,2-diol
SMILESOC[C@@H](O)[C@H](S)CSS
InChIInChI=1S/C4H10O2S3/c5-1-3(6)4(7)2-9-8/h3-8H,1-2H2/t3-,4-/m1/s1
InChIKeyLYCBUNKPKZCJOU-QWWZWVQMSA-N
XLogP0.22
TPSA40.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4S,5S)-5-sulfanylhexane-1,2,3,4,6-pentol
CID 87766833
4,5-bis(sulfanyl)pentane-1,2,3-triol
CID 3029713
bis((2R,3R)-butane-1,2,3,4-tetrol);1-sulfanylethanol
CID 161456248
(2S,3R)-1-(disulfanyl)butane-1,2,3,4-tetrol
CID 140970562
(2R,3R,4S,5R)-4-sulfanylhexane-1,2,3,5,6-pentol
CID 87766385
1-(disulfanyl)butan-2-ol
CID 138559697
4-amino-2-sulfanylbutane-1,3-diol
CID 57281625
(2S,3R,4S,5S)-6-[[(2S,3S,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]disulfanyl]hexane-1,2,3,4,5-pentol
CID 165358247
(2S,4S)-pentane-1,2,3,4,5-pentol
CID 139064085
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-(disulfanyl)-3-sulfanylbutane-1,2-diol?
The IUPAC name of (2R,3S)-4-(disulfanyl)-3-sulfanylbutane-1,2-diol (CID 54058685) is (2R,3S)-4-(disulfanyl)-3-sulfanylbutane-1,2-diol.
What is the SMILES notation for (2R,3S)-4-(disulfanyl)-3-sulfanylbutane-1,2-diol?
The canonical SMILES for (2R,3S)-4-(disulfanyl)-3-sulfanylbutane-1,2-diol is OC[C@@H](O)[C@H](S)CSS.
What is the InChIKey of (2R,3S)-4-(disulfanyl)-3-sulfanylbutane-1,2-diol?
The InChIKey is LYCBUNKPKZCJOU-QWWZWVQMSA-N. The full InChI is InChI=1S/C4H10O2S3/c5-1-3(6)4(7)2-9-8/h3-8H,1-2H2/t3-,4-/m1/s1.
What are the key properties of (2R,3S)-4-(disulfanyl)-3-sulfanylbutane-1,2-diol?
(2R,3S)-4-(disulfanyl)-3-sulfanylbutane-1,2-diol has a molecular weight of 186.32 g/mol, XLogP of 0.22, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-(disulfanyl)-3-sulfanylbutane-1,2-diol is sourced from PubChem (CID 54058685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).