(2S,3R,4S,5R)-1,6-bis(sulfanyl)hexane-2,3,4,5-tetrol

C6H14O4S2 — CID 3053653

IUPAC(2S,3R,4S,5R)-1,6-bis(sulfanyl)hexane-2,3,4,5-tetrol
SMILESO[C@H]([C@H](O)[C@@H](O)CS)[C@H](O)CS
InChIInChI=1S/C6H14O4S2/c7-3(1-11)5(9)6(10)4(8)2-12/h3-12H,1-2H2/t3-,4+,5+,6-
InChIKeyYBSRMLHVSWKSTA-GUCUJZIJSA-N
MW214.31 g/mol
LogP-1.71
Rot. Bonds5

About (2S,3R,4S,5R)-1,6-bis(sulfanyl)hexane-2,3,4,5-tetrol

(2S,3R,4S,5R)-1,6-bis(sulfanyl)hexane-2,3,4,5-tetrol (PubChem CID 3053653) has the molecular formula C6H14O4S2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S,3R,4S,5R)-1,6-bis(sulfanyl)hexane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-1,6-bis(sulfanyl)hexane-2,3,4,5-tetrol
PubChem CID3053653
Molecular FormulaC6H14O4S2
Molecular Weight214.31 g/mol
Exact Mass214.03
IUPAC Name(2S,3R,4S,5R)-1,6-bis(sulfanyl)hexane-2,3,4,5-tetrol
SMILESO[C@H]([C@H](O)[C@@H](O)CS)[C@H](O)CS
InChIInChI=1S/C6H14O4S2/c7-3(1-11)5(9)6(10)4(8)2-12/h3-12H,1-2H2/t3-,4+,5+,6-
InChIKeyYBSRMLHVSWKSTA-GUCUJZIJSA-N
XLogP-1.71
TPSA80.92 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.31
LogP ≤ 5-1.71
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
(2R,3R,4R,5R)-1,3,4,6-tetrakis(sulfanyl)hexane-2,5-diol
CID 119097548
(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
(2R,3R,4S)-3,4-dihydroxy-2-methoxy-5-sulfanylpentanal
CID 154998367
(2R,3R,4R,5R)-5-amino-6-sulfanylhexane-1,2,3,4-tetrol
CID 87770507
1-sulfanyl-3-(sulfanylmethyl)pentan-2-ol
CID 155461515
CID 174870249
CID 174870249
4,5-bis(sulfanyl)pentane-1,2,3-triol
CID 3029713
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-1,6-bis(sulfanyl)hexane-2,3,4,5-tetrol?
The IUPAC name of (2S,3R,4S,5R)-1,6-bis(sulfanyl)hexane-2,3,4,5-tetrol (CID 3053653) is (2S,3R,4S,5R)-1,6-bis(sulfanyl)hexane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3R,4S,5R)-1,6-bis(sulfanyl)hexane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3R,4S,5R)-1,6-bis(sulfanyl)hexane-2,3,4,5-tetrol is O[C@H]([C@H](O)[C@@H](O)CS)[C@H](O)CS.
What is the InChIKey of (2S,3R,4S,5R)-1,6-bis(sulfanyl)hexane-2,3,4,5-tetrol?
The InChIKey is YBSRMLHVSWKSTA-GUCUJZIJSA-N. The full InChI is InChI=1S/C6H14O4S2/c7-3(1-11)5(9)6(10)4(8)2-12/h3-12H,1-2H2/t3-,4+,5+,6-.
What are the key properties of (2S,3R,4S,5R)-1,6-bis(sulfanyl)hexane-2,3,4,5-tetrol?
(2S,3R,4S,5R)-1,6-bis(sulfanyl)hexane-2,3,4,5-tetrol has a molecular weight of 214.31 g/mol, XLogP of -1.71, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-1,6-bis(sulfanyl)hexane-2,3,4,5-tetrol is sourced from PubChem (CID 3053653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).