CID 88679523

C8H17OS+ — CID 88679523

IUPAC—
SMILESC=[S+](C)(C)C1CCCCO1
InChIInChI=1S/C8H17OS/c1-10(2,3)8-6-4-5-7-9-8/h8H,1,4-7H2,2-3H3/q+1
InChIKeyPRVDFLHKQFRCHA-UHFFFAOYSA-N
MW161.29 g/mol
LogP1.36
Rot. Bonds1

About CID 88679523

CID 88679523 (PubChem CID 88679523) has the molecular formula C8H17OS+ and a molecular weight of 161.29 g/mol.

Molecular Properties

Compound NameCID 88679523
PubChem CID88679523
Molecular FormulaC8H17OS+
Molecular Weight161.29 g/mol
Exact Mass161.10
IUPAC Name—
SMILESC=[S+](C)(C)C1CCCCO1
InChIInChI=1S/C8H17OS/c1-10(2,3)8-6-4-5-7-9-8/h8H,1,4-7H2,2-3H3/q+1
InChIKeyPRVDFLHKQFRCHA-UHFFFAOYSA-N
XLogP1.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.29
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 88678094
CID 88678094
cobalt(3+);oxane-2-thiolate
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(2R)-2-(2-methylpropyl)oxane
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(2R)-oxane-2-carbaldehyde
CID 12648700
(2S)-2-tert-butyloxane
CID 118633229
(2R)-N,N-dimethyloxan-2-amine
CID 92983084
2-[(E)-prop-1-enoxy]oxane
CID 12835881
(1R)-N-methyl-1-[(2S)-oxan-2-yl]ethanamine
CID 144712346
2-buta-1,3-dienyloxane
CID 150390930
2-[(2S)-but-3-en-2-yl]oxyoxane
CID 11019115

Frequently Asked Questions

What is the IUPAC name of CID 88679523?
The IUPAC name of CID 88679523 (CID 88679523) is not available.
What is the SMILES notation for CID 88679523?
The canonical SMILES for CID 88679523 is C=[S+](C)(C)C1CCCCO1.
What is the InChIKey of CID 88679523?
The InChIKey is PRVDFLHKQFRCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17OS/c1-10(2,3)8-6-4-5-7-9-8/h8H,1,4-7H2,2-3H3/q+1.
What are the key properties of CID 88679523?
CID 88679523 has a molecular weight of 161.29 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88679523 is sourced from PubChem (CID 88679523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).