(2R,3R,4R,5R)-1,3,4,6-tetrakis(sulfanyl)hexane-2,5-diol

C6H14O2S4 — CID 119097548

IUPAC(2R,3R,4R,5R)-1,3,4,6-tetrakis(sulfanyl)hexane-2,5-diol
SMILESO[C@H](CS)[C@@H](S)[C@H](S)[C@H](O)CS
InChIInChI=1S/C6H14O2S4/c7-3(1-9)5(11)6(12)4(8)2-10/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1
InChIKeyAQLBGBDBAMQBQO-KVTDHHQDSA-N
MW246.44 g/mol
LogP0.16
Rot. Bonds5

About (2R,3R,4R,5R)-1,3,4,6-tetrakis(sulfanyl)hexane-2,5-diol

(2R,3R,4R,5R)-1,3,4,6-tetrakis(sulfanyl)hexane-2,5-diol (PubChem CID 119097548) has the molecular formula C6H14O2S4 and a molecular weight of 246.44 g/mol. Its IUPAC name is (2R,3R,4R,5R)-1,3,4,6-tetrakis(sulfanyl)hexane-2,5-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-1,3,4,6-tetrakis(sulfanyl)hexane-2,5-diol
PubChem CID119097548
Molecular FormulaC6H14O2S4
Molecular Weight246.44 g/mol
Exact Mass245.99
IUPAC Name(2R,3R,4R,5R)-1,3,4,6-tetrakis(sulfanyl)hexane-2,5-diol
SMILESO[C@H](CS)[C@@H](S)[C@H](S)[C@H](O)CS
InChIInChI=1S/C6H14O2S4/c7-3(1-9)5(11)6(12)4(8)2-10/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1
InChIKeyAQLBGBDBAMQBQO-KVTDHHQDSA-N
XLogP0.16
TPSA40.46 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 50.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;sulfane
CID 90205919
CID 172754497
CID 172754497
(2S,3R,4S,5R)-1,6-bis(sulfanyl)hexane-2,3,4,5-tetrol
CID 3053653
(4S,5S)-2,3,6-tris(sulfanyl)hexane-1,4,5-triol
CID 57064649
(2R,3R)-4-sulfanylbutane-1,2,3-triol
CID 20617781
1,4-bis(sulfanyl)butane-2,3-diol;phosphoric acid
CID 175430478
1-sulfanyl-3-(sulfanylmethyl)pentan-2-ol
CID 155461515
(2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;2,3-bis(sulfanyl)propan-1-ol;propane-1,1-dithiol
CID 160633618
CID 174870249
CID 174870249
4,5-bis(sulfanyl)pentane-1,2,3-triol
CID 3029713
1,4-bis(sulfanyl)butane-1,2-diol
CID 22316279
(2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;2-iodoacetamide
CID 87360048

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-1,3,4,6-tetrakis(sulfanyl)hexane-2,5-diol?
The IUPAC name of (2R,3R,4R,5R)-1,3,4,6-tetrakis(sulfanyl)hexane-2,5-diol (CID 119097548) is (2R,3R,4R,5R)-1,3,4,6-tetrakis(sulfanyl)hexane-2,5-diol.
What is the SMILES notation for (2R,3R,4R,5R)-1,3,4,6-tetrakis(sulfanyl)hexane-2,5-diol?
The canonical SMILES for (2R,3R,4R,5R)-1,3,4,6-tetrakis(sulfanyl)hexane-2,5-diol is O[C@H](CS)[C@@H](S)[C@H](S)[C@H](O)CS.
What is the InChIKey of (2R,3R,4R,5R)-1,3,4,6-tetrakis(sulfanyl)hexane-2,5-diol?
The InChIKey is AQLBGBDBAMQBQO-KVTDHHQDSA-N. The full InChI is InChI=1S/C6H14O2S4/c7-3(1-9)5(11)6(12)4(8)2-10/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-1,3,4,6-tetrakis(sulfanyl)hexane-2,5-diol?
(2R,3R,4R,5R)-1,3,4,6-tetrakis(sulfanyl)hexane-2,5-diol has a molecular weight of 246.44 g/mol, XLogP of 0.16, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-1,3,4,6-tetrakis(sulfanyl)hexane-2,5-diol is sourced from PubChem (CID 119097548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).