(3R)-3-sulfanylpentan-1-ol

C5H12OS — CID 101140492

IUPAC(3R)-3-sulfanylpentan-1-ol
SMILESCC[C@@H](S)CCO
InChIInChI=1S/C5H12OS/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3/t5-/m1/s1
InChIKeyPRJACVDGNSZBLE-RXMQYKEDSA-N
MW120.22 g/mol
LogP1.08
Rot. Bonds3

About (3R)-3-sulfanylpentan-1-ol

(3R)-3-sulfanylpentan-1-ol (PubChem CID 101140492) has the molecular formula C5H12OS and a molecular weight of 120.22 g/mol. Its IUPAC name is (3R)-3-sulfanylpentan-1-ol.

Molecular Properties

Compound Name(3R)-3-sulfanylpentan-1-ol
PubChem CID101140492
Molecular FormulaC5H12OS
Molecular Weight120.22 g/mol
Exact Mass120.06
IUPAC Name(3R)-3-sulfanylpentan-1-ol
SMILESCC[C@@H](S)CCO
InChIInChI=1S/C5H12OS/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3/t5-/m1/s1
InChIKeyPRJACVDGNSZBLE-RXMQYKEDSA-N
XLogP1.08
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.22
LogP ≤ 51.08
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

3-Mercapto-2-methylpentan-1-ol
CID 6430888
3-Mercaptohexanol
CID 521348
3-Sulfanylpentan-1-ol
CID 480012
6-Mercapto-1-hexanol
CID 560126
3-Sulfanyl-4-methylpentan-1-ol
CID 13357711
2-Mercaptopropanol
CID 102921
4-Sulfanylbutan-1-ol
CID 548261
3-Sulfanylbutan-1-ol
CID 6430893
Mercaptopropanol
CID 3017470
5-(Methylsulfanyl)pentan-1-ol
CID 12272140
(2R)-2-sulfanylpropan-1-ol
CID 13039564
4-Sulfanylpentan-1-ol
CID 22764069

Frequently Asked Questions

What is the IUPAC name of (3R)-3-sulfanylpentan-1-ol?
The IUPAC name of (3R)-3-sulfanylpentan-1-ol (CID 101140492) is (3R)-3-sulfanylpentan-1-ol.
What is the SMILES notation for (3R)-3-sulfanylpentan-1-ol?
The canonical SMILES for (3R)-3-sulfanylpentan-1-ol is CC[C@@H](S)CCO.
What is the InChIKey of (3R)-3-sulfanylpentan-1-ol?
The InChIKey is PRJACVDGNSZBLE-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H12OS/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of (3R)-3-sulfanylpentan-1-ol?
(3R)-3-sulfanylpentan-1-ol has a molecular weight of 120.22 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-sulfanylpentan-1-ol is sourced from PubChem (CID 101140492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).