(4S,5S)-thiane-2,4,5-triol

C5H10O3S — CID 13309262

IUPAC(4S,5S)-thiane-2,4,5-triol
SMILESOC1C[C@H](O)[C@H](O)CS1
InChIInChI=1S/C5H10O3S/c6-3-1-5(8)9-2-4(3)7/h3-8H,1-2H2/t3-,4+,5?/m0/s1
InChIKeyULAILZANWDXJIK-PYHARJCCSA-N
MW150.20 g/mol
LogP-0.84
Rot. Bonds

About (4S,5S)-thiane-2,4,5-triol

(4S,5S)-thiane-2,4,5-triol (PubChem CID 13309262) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is (4S,5S)-thiane-2,4,5-triol.

Molecular Properties

Compound Name(4S,5S)-thiane-2,4,5-triol
PubChem CID13309262
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name(4S,5S)-thiane-2,4,5-triol
SMILESOC1C[C@H](O)[C@H](O)CS1
InChIInChI=1S/C5H10O3S/c6-3-1-5(8)9-2-4(3)7/h3-8H,1-2H2/t3-,4+,5?/m0/s1
InChIKeyULAILZANWDXJIK-PYHARJCCSA-N
XLogP-0.84
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 ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-cyclopropane-1,2-diol
CID 59075452
(1S,2S,4S,5S)-cyclohexane-1,2,4,5-tetrol
CID 10855621
5-ethyl-1,4-dithian-2-ol
CID 58105841
cis-(1R,2S)-cyclopentane-1,2,4-triol
CID 11073392
(2S,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]thiolane-3,4-diol
CID 130404269
(1R,4R)-4-ethylcyclopent-2-en-1-ol
CID 12026726
4,5-dimethylcyclohexane-1,2-diol
CID 13429582
5,6-diethyl-1,4-dithian-2-ol
CID 58105778
2-(hydroxymethyl)thiane-3,5-diol
CID 130152138
(1S,3S,4R,6R)-bicyclo[4.2.1]non-7-ene-3,4-diol
CID 25136543
2-methyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-5,6-diol
CID 19000719
acetic acid;(3R,4S)-thiolane-3,4-diol
CID 71412938

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-thiane-2,4,5-triol?
The IUPAC name of (4S,5S)-thiane-2,4,5-triol (CID 13309262) is (4S,5S)-thiane-2,4,5-triol.
What is the SMILES notation for (4S,5S)-thiane-2,4,5-triol?
The canonical SMILES for (4S,5S)-thiane-2,4,5-triol is OC1C[C@H](O)[C@H](O)CS1.
What is the InChIKey of (4S,5S)-thiane-2,4,5-triol?
The InChIKey is ULAILZANWDXJIK-PYHARJCCSA-N. The full InChI is InChI=1S/C5H10O3S/c6-3-1-5(8)9-2-4(3)7/h3-8H,1-2H2/t3-,4+,5?/m0/s1.
What are the key properties of (4S,5S)-thiane-2,4,5-triol?
(4S,5S)-thiane-2,4,5-triol has a molecular weight of 150.20 g/mol, XLogP of -0.84, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-thiane-2,4,5-triol is sourced from PubChem (CID 13309262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).