(2S,3R)-2-(hydroxymethyl)-4-methylidenethiolan-3-ol

C6H10O2S — CID 131175139

IUPAC(2S,3R)-2-(hydroxymethyl)-4-methylidenethiolan-3-ol
SMILESC=C1CS[C@@H](CO)[C@@H]1O
InChIInChI=1S/C6H10O2S/c1-4-3-9-5(2-7)6(4)8/h5-8H,1-3H2/t5-,6+/m0/s1
InChIKeyOERFFLNORHJXSA-NTSWFWBYSA-N
MW146.21 g/mol
LogP0.01
Rot. Bonds1

About (2S,3R)-2-(hydroxymethyl)-4-methylidenethiolan-3-ol

(2S,3R)-2-(hydroxymethyl)-4-methylidenethiolan-3-ol (PubChem CID 131175139) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is (2S,3R)-2-(hydroxymethyl)-4-methylidenethiolan-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-(hydroxymethyl)-4-methylidenethiolan-3-ol
PubChem CID131175139
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name(2S,3R)-2-(hydroxymethyl)-4-methylidenethiolan-3-ol
SMILESC=C1CS[C@@H](CO)[C@@H]1O
InChIInChI=1S/C6H10O2S/c1-4-3-9-5(2-7)6(4)8/h5-8H,1-3H2/t5-,6+/m0/s1
InChIKeyOERFFLNORHJXSA-NTSWFWBYSA-N
XLogP0.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(hydroxymethyl)-4-methylidenethiolan-3-ol?
The IUPAC name of (2S,3R)-2-(hydroxymethyl)-4-methylidenethiolan-3-ol (CID 131175139) is (2S,3R)-2-(hydroxymethyl)-4-methylidenethiolan-3-ol.
What is the SMILES notation for (2S,3R)-2-(hydroxymethyl)-4-methylidenethiolan-3-ol?
The canonical SMILES for (2S,3R)-2-(hydroxymethyl)-4-methylidenethiolan-3-ol is C=C1CS[C@@H](CO)[C@@H]1O.
What is the InChIKey of (2S,3R)-2-(hydroxymethyl)-4-methylidenethiolan-3-ol?
The InChIKey is OERFFLNORHJXSA-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-4-3-9-5(2-7)6(4)8/h5-8H,1-3H2/t5-,6+/m0/s1.
What are the key properties of (2S,3R)-2-(hydroxymethyl)-4-methylidenethiolan-3-ol?
(2S,3R)-2-(hydroxymethyl)-4-methylidenethiolan-3-ol has a molecular weight of 146.21 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(hydroxymethyl)-4-methylidenethiolan-3-ol is sourced from PubChem (CID 131175139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).