(2R,3R)-4-sulfanylbutane-1,2,3-triol

C4H10O3S — CID 20617781

IUPAC(2R,3R)-4-sulfanylbutane-1,2,3-triol
SMILESOC[C@@H](O)[C@@H](O)CS
InChIInChI=1S/C4H10O3S/c5-1-3(6)4(7)2-8/h3-8H,1-2H2/t3-,4+/m1/s1
InChIKeyCOTLQGQWDIMCKQ-DMTCNVIQSA-N
MW138.19 g/mol
LogP-1.37
Rot. Bonds3

About (2R,3R)-4-sulfanylbutane-1,2,3-triol

(2R,3R)-4-sulfanylbutane-1,2,3-triol (PubChem CID 20617781) has the molecular formula C4H10O3S and a molecular weight of 138.19 g/mol. Its IUPAC name is (2R,3R)-4-sulfanylbutane-1,2,3-triol.

Molecular Properties

Compound Name(2R,3R)-4-sulfanylbutane-1,2,3-triol
PubChem CID20617781
Molecular FormulaC4H10O3S
Molecular Weight138.19 g/mol
Exact Mass138.04
IUPAC Name(2R,3R)-4-sulfanylbutane-1,2,3-triol
SMILESOC[C@@H](O)[C@@H](O)CS
InChIInChI=1S/C4H10O3S/c5-1-3(6)4(7)2-8/h3-8H,1-2H2/t3-,4+/m1/s1
InChIKeyCOTLQGQWDIMCKQ-DMTCNVIQSA-N
XLogP-1.37
TPSA60.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 5-1.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-sulfanylbutane-1,2,3-triol?
The IUPAC name of (2R,3R)-4-sulfanylbutane-1,2,3-triol (CID 20617781) is (2R,3R)-4-sulfanylbutane-1,2,3-triol.
What is the SMILES notation for (2R,3R)-4-sulfanylbutane-1,2,3-triol?
The canonical SMILES for (2R,3R)-4-sulfanylbutane-1,2,3-triol is OC[C@@H](O)[C@@H](O)CS.
What is the InChIKey of (2R,3R)-4-sulfanylbutane-1,2,3-triol?
The InChIKey is COTLQGQWDIMCKQ-DMTCNVIQSA-N. The full InChI is InChI=1S/C4H10O3S/c5-1-3(6)4(7)2-8/h3-8H,1-2H2/t3-,4+/m1/s1.
What are the key properties of (2R,3R)-4-sulfanylbutane-1,2,3-triol?
(2R,3R)-4-sulfanylbutane-1,2,3-triol has a molecular weight of 138.19 g/mol, XLogP of -1.37, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-sulfanylbutane-1,2,3-triol is sourced from PubChem (CID 20617781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).