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

C4H10OS — CID 13095872

IUPAC(2S,3R)-3-sulfanylbutan-2-ol
SMILESC[C@H](O)[C@@H](C)S
InChIInChI=1S/C4H10OS/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4+/m0/s1
InChIKeyMJQWABQELVFQJL-IUYQGCFVSA-N
MW106.19 g/mol
LogP0.69
Rot. Bonds1

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

(2S,3R)-3-sulfanylbutan-2-ol (PubChem CID 13095872) has the molecular formula C4H10OS and a molecular weight of 106.19 g/mol. Its IUPAC name is (2S,3R)-3-sulfanylbutan-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-sulfanylbutan-2-ol
PubChem CID13095872
Molecular FormulaC4H10OS
Molecular Weight106.19 g/mol
Exact Mass106.05
IUPAC Name(2S,3R)-3-sulfanylbutan-2-ol
SMILESC[C@H](O)[C@@H](C)S
InChIInChI=1S/C4H10OS/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4+/m0/s1
InChIKeyMJQWABQELVFQJL-IUYQGCFVSA-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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Related Compounds

2-Mercapto-3-butanol
CID 62087
1,3-Dimercapto-2-propanol
CID 68505
1-Mercapto-2-propanol
CID 102545
2-Methyl-3-sulfanylpropan-1-ol
CID 529079
4-Mercapto-3-methyl-2-butanol
CID 13353282
4-(Methylthio)-2-butanol
CID 12659797
rel-(2R,3S)-3-Mercapto-2-butanol
CID 641834
(2S)-1-sulfanylpropan-2-ol
CID 10898643
2-Mercaptopropanol
CID 102921
1-Sulfanylbutan-2-ol
CID 547684
4-Sulfanylbutan-1-ol
CID 548261
2,2-Dimethyl-3-sulfanylpropan-1-ol
CID 331837

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-sulfanylbutan-2-ol?
The IUPAC name of (2S,3R)-3-sulfanylbutan-2-ol (CID 13095872) is (2S,3R)-3-sulfanylbutan-2-ol.
What is the SMILES notation for (2S,3R)-3-sulfanylbutan-2-ol?
The canonical SMILES for (2S,3R)-3-sulfanylbutan-2-ol is C[C@H](O)[C@@H](C)S.
What is the InChIKey of (2S,3R)-3-sulfanylbutan-2-ol?
The InChIKey is MJQWABQELVFQJL-IUYQGCFVSA-N. The full InChI is InChI=1S/C4H10OS/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4+/m0/s1.
What are the key properties of (2S,3R)-3-sulfanylbutan-2-ol?
(2S,3R)-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 (2S,3R)-3-sulfanylbutan-2-ol is sourced from PubChem (CID 13095872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).