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

C4H14O2S4 — CID 90205919

IUPAC(2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;sulfane
SMILESO[C@H](CS)[C@H](O)CS.S.S
InChIInChI=1S/C4H10O2S2.2H2S/c5-3(1-7)4(6)2-8;;/h3-8H,1-2H2;2*1H2/t3-,4-;;/m1../s1
InChIKeyOTPHQQOLZFQMKW-XWJKVJTJSA-N
MW222.42 g/mol
LogP-0.21
Rot. Bonds3

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

(2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;sulfane (PubChem CID 90205919) has the molecular formula C4H14O2S4 and a molecular weight of 222.42 g/mol. Its IUPAC name is (2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;sulfane.

Molecular Properties

Compound Name(2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;sulfane
PubChem CID90205919
Molecular FormulaC4H14O2S4
Molecular Weight222.42 g/mol
Exact Mass221.99
IUPAC Name(2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;sulfane
SMILESO[C@H](CS)[C@H](O)CS.S.S
InChIInChI=1S/C4H10O2S2.2H2S/c5-3(1-7)4(6)2-8;;/h3-8H,1-2H2;2*1H2/t3-,4-;;/m1../s1
InChIKeyOTPHQQOLZFQMKW-XWJKVJTJSA-N
XLogP-0.21
TPSA40.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.42
LogP ≤ 5-0.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 172754497
CID 172754497
(2R,3R)-4-sulfanylbutane-1,2,3-triol
CID 20617781
(2S,3R,4S,5R)-1,6-bis(sulfanyl)hexane-2,3,4,5-tetrol
CID 3053653
1,4-bis(sulfanyl)butane-2,3-diol;phosphoric acid
CID 175430478
(2R,3R,4R,5R)-1,3,4,6-tetrakis(sulfanyl)hexane-2,5-diol
CID 119097548
CID 174870249
CID 174870249
(2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;2-iodoacetamide
CID 87360048
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
2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;(2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol
CID 87643677
CID 87134159
CID 87134159
(4S,5S)-2,3,6-tris(sulfanyl)hexane-1,4,5-triol
CID 57064649

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;sulfane?
The IUPAC name of (2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;sulfane (CID 90205919) is (2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;sulfane.
What is the SMILES notation for (2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;sulfane?
The canonical SMILES for (2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;sulfane is O[C@H](CS)[C@H](O)CS.S.S.
What is the InChIKey of (2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;sulfane?
The InChIKey is OTPHQQOLZFQMKW-XWJKVJTJSA-N. The full InChI is InChI=1S/C4H10O2S2.2H2S/c5-3(1-7)4(6)2-8;;/h3-8H,1-2H2;2*1H2/t3-,4-;;/m1../s1.
What are the key properties of (2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;sulfane?
(2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;sulfane has a molecular weight of 222.42 g/mol, XLogP of -0.21, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;sulfane is sourced from PubChem (CID 90205919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).