(3R,4R)-dithiane-3,4-diol

C4H8O2S2 — CID 93495775

IUPAC(3R,4R)-dithiane-3,4-diol
SMILESO[C@@H]1CCSS[C@H]1O
InChIInChI=1S/C4H8O2S2/c5-3-1-2-7-8-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1
InChIKeyJSMLXTZCMDYUQJ-QWWZWVQMSA-N
MW152.24 g/mol
LogP0.45
Rot. Bonds

About (3R,4R)-dithiane-3,4-diol

(3R,4R)-dithiane-3,4-diol (PubChem CID 93495775) has the molecular formula C4H8O2S2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (3R,4R)-dithiane-3,4-diol.

Molecular Properties

Compound Name(3R,4R)-dithiane-3,4-diol
PubChem CID93495775
Molecular FormulaC4H8O2S2
Molecular Weight152.24 g/mol
Exact Mass152.00
IUPAC Name(3R,4R)-dithiane-3,4-diol
SMILESO[C@@H]1CCSS[C@H]1O
InChIInChI=1S/C4H8O2S2/c5-3-1-2-7-8-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1
InChIKeyJSMLXTZCMDYUQJ-QWWZWVQMSA-N
XLogP0.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-3-hydroxythiolane-2-carboxylic acid
CID 93488633
2-propan-2-ylthiolan-3-ol
CID 18410256
(1R,2S,5S,6R)-9-thiabicyclo[3.3.1]nonane-2,6-diol
CID 98538775
(3R,4S)-3-ethylthian-4-ol
CID 13081675
thiazinane-3,4-diol
CID 69426844
(3S,4S)-3-propylthian-4-ol
CID 101042409
thiadiazepane-4,5-diol
CID 142545397
(2S,3S)-2-cyclopentylthiolan-3-ol
CID 10352157
(2R)-2-[(3R)-dithiolan-3-yl]-4-methylpentan-3-one
CID 162770929
4-(dithiolan-3-yl)butanoic acid
CID 20608098
dithiane-3-thiol
CID 91403742
(2S,3S)-2-propylthiolan-3-ol
CID 10419326

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-dithiane-3,4-diol?
The IUPAC name of (3R,4R)-dithiane-3,4-diol (CID 93495775) is (3R,4R)-dithiane-3,4-diol.
What is the SMILES notation for (3R,4R)-dithiane-3,4-diol?
The canonical SMILES for (3R,4R)-dithiane-3,4-diol is O[C@@H]1CCSS[C@H]1O.
What is the InChIKey of (3R,4R)-dithiane-3,4-diol?
The InChIKey is JSMLXTZCMDYUQJ-QWWZWVQMSA-N. The full InChI is InChI=1S/C4H8O2S2/c5-3-1-2-7-8-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1.
What are the key properties of (3R,4R)-dithiane-3,4-diol?
(3R,4R)-dithiane-3,4-diol has a molecular weight of 152.24 g/mol, XLogP of 0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-dithiane-3,4-diol is sourced from PubChem (CID 93495775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).