CID 46833430

C11H15OS — CID 46833430

IUPAC—
SMILESCCCSCCC(=O)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C11H15OS/c1-2-8-13-9-7-11(12)10-5-3-4-6-10/h3-6H,2,7-9H2,1H3
InChIKeyIDFQFLUEMQTVCQ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.49
Rot. Bonds6

About CID 46833430

CID 46833430 (PubChem CID 46833430) has the molecular formula C11H15OS and a molecular weight of 195.31 g/mol.

Molecular Properties

Compound NameCID 46833430
PubChem CID46833430
Molecular FormulaC11H15OS
Molecular Weight195.31 g/mol
Exact Mass195.08
IUPAC Name—
SMILESCCCSCCC(=O)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C11H15OS/c1-2-8-13-9-7-11(12)10-5-3-4-6-10/h3-6H,2,7-9H2,1H3
InChIKeyIDFQFLUEMQTVCQ-UHFFFAOYSA-N
XLogP2.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 46833430?
The IUPAC name of CID 46833430 (CID 46833430) is not available.
What is the SMILES notation for CID 46833430?
The canonical SMILES for CID 46833430 is CCCSCCC(=O)[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 46833430?
The InChIKey is IDFQFLUEMQTVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15OS/c1-2-8-13-9-7-11(12)10-5-3-4-6-10/h3-6H,2,7-9H2,1H3.
What are the key properties of CID 46833430?
CID 46833430 has a molecular weight of 195.31 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 46833430 is sourced from PubChem (CID 46833430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).