3-[(3R)-oxan-3-yl]propane-1-thiol

C8H16OS — CID 142369160

IUPAC3-[(3R)-oxan-3-yl]propane-1-thiol
SMILESSCCC[C@H]1CCCOC1
InChIInChI=1S/C8H16OS/c10-6-2-4-8-3-1-5-9-7-8/h8,10H,1-7H2/t8-/m1/s1
InChIKeyVLFQNBFOXPZWBF-MRVPVSSYSA-N
MW160.28 g/mol
LogP2.12
Rot. Bonds3

About 3-[(3R)-oxan-3-yl]propane-1-thiol

3-[(3R)-oxan-3-yl]propane-1-thiol (PubChem CID 142369160) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 3-[(3R)-oxan-3-yl]propane-1-thiol.

Molecular Properties

Compound Name3-[(3R)-oxan-3-yl]propane-1-thiol
PubChem CID142369160
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name3-[(3R)-oxan-3-yl]propane-1-thiol
SMILESSCCC[C@H]1CCCOC1
InChIInChI=1S/C8H16OS/c10-6-2-4-8-3-1-5-9-7-8/h8,10H,1-7H2/t8-/m1/s1
InChIKeyVLFQNBFOXPZWBF-MRVPVSSYSA-N
XLogP2.12
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(disulfanyl)butyl]oxane
CID 167054998
3-octyloxane
CID 69236112
3-(2-chloroethyl)oxane
CID 64867917
3-(3-methylsulfanyloxypropyl)oxane
CID 143739199
3-(3-ethenoxypropyl)oxane
CID 176603417
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
N-ethyl-2-(oxan-3-yl)ethanamine
CID 64866831
5-(oxan-3-yl)pentan-2-yl acetate
CID 69403351
2-ethyl-5-[2-(oxan-3-yl)ethyl]oxane
CID 153020675
3-(3-chloropentyl)oxane
CID 107137866
1-[2-(oxan-3-yl)ethyl]cyclohexan-1-ol
CID 115073811

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-oxan-3-yl]propane-1-thiol?
The IUPAC name of 3-[(3R)-oxan-3-yl]propane-1-thiol (CID 142369160) is 3-[(3R)-oxan-3-yl]propane-1-thiol.
What is the SMILES notation for 3-[(3R)-oxan-3-yl]propane-1-thiol?
The canonical SMILES for 3-[(3R)-oxan-3-yl]propane-1-thiol is SCCC[C@H]1CCCOC1.
What is the InChIKey of 3-[(3R)-oxan-3-yl]propane-1-thiol?
The InChIKey is VLFQNBFOXPZWBF-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16OS/c10-6-2-4-8-3-1-5-9-7-8/h8,10H,1-7H2/t8-/m1/s1.
What are the key properties of 3-[(3R)-oxan-3-yl]propane-1-thiol?
3-[(3R)-oxan-3-yl]propane-1-thiol has a molecular weight of 160.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-oxan-3-yl]propane-1-thiol is sourced from PubChem (CID 142369160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).