(3S,5R)-thiane-3,4,5-triol

C5H10O3S — CID 22806412

IUPAC(3S,5R)-thiane-3,4,5-triol
SMILESOC1[C@H](O)CSC[C@@H]1O
InChIInChI=1S/C5H10O3S/c6-3-1-9-2-4(7)5(3)8/h3-8H,1-2H2/t3-,4+,5?
InChIKeySYMYXGBPLSRIAP-NGQZWQHPSA-N
MW150.20 g/mol
LogP-1.18
Rot. Bonds

About (3S,5R)-thiane-3,4,5-triol

(3S,5R)-thiane-3,4,5-triol (PubChem CID 22806412) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is (3S,5R)-thiane-3,4,5-triol.

Molecular Properties

Compound Name(3S,5R)-thiane-3,4,5-triol
PubChem CID22806412
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name(3S,5R)-thiane-3,4,5-triol
SMILESOC1[C@H](O)CSC[C@@H]1O
InChIInChI=1S/C5H10O3S/c6-3-1-9-2-4(7)5(3)8/h3-8H,1-2H2/t3-,4+,5?
InChIKeySYMYXGBPLSRIAP-NGQZWQHPSA-N
XLogP-1.18
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-thiane-3,4,5-triol?
The IUPAC name of (3S,5R)-thiane-3,4,5-triol (CID 22806412) is (3S,5R)-thiane-3,4,5-triol.
What is the SMILES notation for (3S,5R)-thiane-3,4,5-triol?
The canonical SMILES for (3S,5R)-thiane-3,4,5-triol is OC1[C@H](O)CSC[C@@H]1O.
What is the InChIKey of (3S,5R)-thiane-3,4,5-triol?
The InChIKey is SYMYXGBPLSRIAP-NGQZWQHPSA-N. The full InChI is InChI=1S/C5H10O3S/c6-3-1-9-2-4(7)5(3)8/h3-8H,1-2H2/t3-,4+,5?.
What are the key properties of (3S,5R)-thiane-3,4,5-triol?
(3S,5R)-thiane-3,4,5-triol has a molecular weight of 150.20 g/mol, XLogP of -1.18, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-thiane-3,4,5-triol is sourced from PubChem (CID 22806412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).