(1S)-1-[(3S)-3,6-dihydro-2H-thiopyran-3-yl]ethane-1,2-diol

C7H12O2S — CID 130756875

IUPAC(1S)-1-[(3S)-3,6-dihydro-2H-thiopyran-3-yl]ethane-1,2-diol
SMILESOC[C@@H](O)[C@@H]1C=CCSC1
InChIInChI=1S/C7H12O2S/c8-4-7(9)6-2-1-3-10-5-6/h1-2,6-9H,3-5H2/t6-,7-/m1/s1
InChIKeyBSTTWFQNHLIQPM-RNFRBKRXSA-N
MW160.24 g/mol
LogP0.26
Rot. Bonds2

About (1S)-1-[(3S)-3,6-dihydro-2H-thiopyran-3-yl]ethane-1,2-diol

(1S)-1-[(3S)-3,6-dihydro-2H-thiopyran-3-yl]ethane-1,2-diol (PubChem CID 130756875) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is (1S)-1-[(3S)-3,6-dihydro-2H-thiopyran-3-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1S)-1-[(3S)-3,6-dihydro-2H-thiopyran-3-yl]ethane-1,2-diol
PubChem CID130756875
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name(1S)-1-[(3S)-3,6-dihydro-2H-thiopyran-3-yl]ethane-1,2-diol
SMILESOC[C@@H](O)[C@@H]1C=CCSC1
InChIInChI=1S/C7H12O2S/c8-4-7(9)6-2-1-3-10-5-6/h1-2,6-9H,3-5H2/t6-,7-/m1/s1
InChIKeyBSTTWFQNHLIQPM-RNFRBKRXSA-N
XLogP0.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dihydro-2H-thiopyran-2,3-diol
CID 67996265
3-(4-Methylhex-2-en-3-ylsulfanyl)propane-1,2-diol
CID 123526385
(3R)-3-ethyl-2,6-dihydrothiopyran-2,3-diol
CID 153101385
[2-(hydroxymethyl)-3,6-dihydro-2H-thiopyran-3-yl]methanol
CID 130146687
[(2R,3S)-2-(hydroxymethyl)-3,6-dihydro-2H-thiopyran-3-yl]methanol
CID 130891727

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(3S)-3,6-dihydro-2H-thiopyran-3-yl]ethane-1,2-diol?
The IUPAC name of (1S)-1-[(3S)-3,6-dihydro-2H-thiopyran-3-yl]ethane-1,2-diol (CID 130756875) is (1S)-1-[(3S)-3,6-dihydro-2H-thiopyran-3-yl]ethane-1,2-diol.
What is the SMILES notation for (1S)-1-[(3S)-3,6-dihydro-2H-thiopyran-3-yl]ethane-1,2-diol?
The canonical SMILES for (1S)-1-[(3S)-3,6-dihydro-2H-thiopyran-3-yl]ethane-1,2-diol is OC[C@@H](O)[C@@H]1C=CCSC1.
What is the InChIKey of (1S)-1-[(3S)-3,6-dihydro-2H-thiopyran-3-yl]ethane-1,2-diol?
The InChIKey is BSTTWFQNHLIQPM-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H12O2S/c8-4-7(9)6-2-1-3-10-5-6/h1-2,6-9H,3-5H2/t6-,7-/m1/s1.
What are the key properties of (1S)-1-[(3S)-3,6-dihydro-2H-thiopyran-3-yl]ethane-1,2-diol?
(1S)-1-[(3S)-3,6-dihydro-2H-thiopyran-3-yl]ethane-1,2-diol has a molecular weight of 160.24 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(3S)-3,6-dihydro-2H-thiopyran-3-yl]ethane-1,2-diol is sourced from PubChem (CID 130756875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).