(2R,3S)-3-sulfanylbutan-2-ol

C4H10OS — CID 641834

IUPAC(2R,3S)-3-sulfanylbutan-2-ol
SMILESC[C@H](S)[C@@H](C)O
InChIInChI=1S/C4H10OS/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4+/m1/s1
InChIKeyMJQWABQELVFQJL-DMTCNVIQSA-N
MW106.19 g/mol
LogP0.69
Rot. Bonds1

About (2R,3S)-3-sulfanylbutan-2-ol

(2R,3S)-3-sulfanylbutan-2-ol (PubChem CID 641834) has the molecular formula C4H10OS and a molecular weight of 106.19 g/mol. Its IUPAC name is (2R,3S)-3-sulfanylbutan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-sulfanylbutan-2-ol
PubChem CID641834
Molecular FormulaC4H10OS
Molecular Weight106.19 g/mol
Exact Mass106.05
IUPAC Name(2R,3S)-3-sulfanylbutan-2-ol
SMILESC[C@H](S)[C@@H](C)O
InChIInChI=1S/C4H10OS/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4+/m1/s1
InChIKeyMJQWABQELVFQJL-DMTCNVIQSA-N
XLogP0.69
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.19
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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,3S)-3-sulfanylbutan-2-ol?
The IUPAC name of (2R,3S)-3-sulfanylbutan-2-ol (CID 641834) is (2R,3S)-3-sulfanylbutan-2-ol.
What is the SMILES notation for (2R,3S)-3-sulfanylbutan-2-ol?
The canonical SMILES for (2R,3S)-3-sulfanylbutan-2-ol is C[C@H](S)[C@@H](C)O.
What is the InChIKey of (2R,3S)-3-sulfanylbutan-2-ol?
The InChIKey is MJQWABQELVFQJL-DMTCNVIQSA-N. The full InChI is InChI=1S/C4H10OS/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4+/m1/s1.
What are the key properties of (2R,3S)-3-sulfanylbutan-2-ol?
(2R,3S)-3-sulfanylbutan-2-ol has a molecular weight of 106.19 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-sulfanylbutan-2-ol is sourced from PubChem (CID 641834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).