1,4,6-trithiaspiro[4.4]nonane

C6H10S3 — CID 14869211

IUPAC1,4,6-trithiaspiro[4.4]nonane
SMILESC1CSC2(C1)SCCS2
InChIInChI=1S/C6H10S3/c1-2-6(7-3-1)8-4-5-9-6/h1-5H2
InChIKeyHUNWAJAQKBZRLP-UHFFFAOYSA-N
MW178.35 g/mol
LogP2.65
Rot. Bonds

About 1,4,6-trithiaspiro[4.4]nonane

1,4,6-trithiaspiro[4.4]nonane (PubChem CID 14869211) has the molecular formula C6H10S3 and a molecular weight of 178.35 g/mol. Its IUPAC name is 1,4,6-trithiaspiro[4.4]nonane.

Molecular Properties

Compound Name1,4,6-trithiaspiro[4.4]nonane
PubChem CID14869211
Molecular FormulaC6H10S3
Molecular Weight178.35 g/mol
Exact Mass177.99
IUPAC Name1,4,6-trithiaspiro[4.4]nonane
SMILESC1CSC2(C1)SCCS2
InChIInChI=1S/C6H10S3/c1-2-6(7-3-1)8-4-5-9-6/h1-5H2
InChIKeyHUNWAJAQKBZRLP-UHFFFAOYSA-N
XLogP2.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.35
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4,6-trithiaspiro[4.4]nonane?
The IUPAC name of 1,4,6-trithiaspiro[4.4]nonane (CID 14869211) is 1,4,6-trithiaspiro[4.4]nonane.
What is the SMILES notation for 1,4,6-trithiaspiro[4.4]nonane?
The canonical SMILES for 1,4,6-trithiaspiro[4.4]nonane is C1CSC2(C1)SCCS2.
What is the InChIKey of 1,4,6-trithiaspiro[4.4]nonane?
The InChIKey is HUNWAJAQKBZRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S3/c1-2-6(7-3-1)8-4-5-9-6/h1-5H2.
What are the key properties of 1,4,6-trithiaspiro[4.4]nonane?
1,4,6-trithiaspiro[4.4]nonane has a molecular weight of 178.35 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trithiaspiro[4.4]nonane is sourced from PubChem (CID 14869211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).