QSZFOLJWWMFULH-UHFFFAOYSA-N

C₁₃H₂₄OS₂ — CID 577327

About QSZFOLJWWMFULH-UHFFFAOYSA-N

QSZFOLJWWMFULH-UHFFFAOYSA-N (PubChem CID 577327) has the molecular formula C₁₃H₂₄OS₂ and a molecular weight of 260.47 g/mol. Its IUPAC name is 1,5-dithiaspiro[5.9]pentadecan-7-ol.

Molecular Properties

• Compound Name: QSZFOLJWWMFULH-UHFFFAOYSA-N
• PubChem CID: 577327
• Molecular Formula: C₁₃H₂₄OS₂
• Molecular Weight: 260.47 g/mol
• Exact Mass: 260.13
• IUPAC Name: 1,5-dithiaspiro[5.9]pentadecan-7-ol
• SMILES: OC1CCCCCCCCC12SCCCS2
• InChI: InChI=1S/C13H24OS2/c14-12-8-5-3-1-2-4-6-9-13(12)15-10-7-11-16-13/h12,14H,1-11H2
• InChIKey: QSZFOLJWWMFULH-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	260.47
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of QSZFOLJWWMFULH-UHFFFAOYSA-N?

The IUPAC name of QSZFOLJWWMFULH-UHFFFAOYSA-N (CID 577327) is 1,5-dithiaspiro[5.9]pentadecan-7-ol.

What is the SMILES notation for QSZFOLJWWMFULH-UHFFFAOYSA-N?

The canonical SMILES for QSZFOLJWWMFULH-UHFFFAOYSA-N is OC1CCCCCCCCC12SCCCS2.

What is the InChIKey of QSZFOLJWWMFULH-UHFFFAOYSA-N?

The InChIKey is QSZFOLJWWMFULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OS2/c14-12-8-5-3-1-2-4-6-9-13(12)15-10-7-11-16-13/h12,14H,1-11H2.

What are the key properties of QSZFOLJWWMFULH-UHFFFAOYSA-N?

QSZFOLJWWMFULH-UHFFFAOYSA-N has a molecular weight of 260.47 g/mol, XLogP of 4.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for QSZFOLJWWMFULH-UHFFFAOYSA-N is sourced from PubChem (CID 577327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 577327 — identifiers, structure, computed properties (public domain)

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