[3-(sulfanylmethyl)-1,4,6,9-tetrathiaspiro[4.4]nonan-8-yl]methanethiol

C7H12S6 — CID 59341509

IUPAC[3-(sulfanylmethyl)-1,4,6,9-tetrathiaspiro[4.4]nonan-8-yl]methanethiol
SMILESSCC1CSC2(SCC(CS)S2)S1
InChIInChI=1S/C7H12S6/c8-1-5-3-10-7(12-5)11-4-6(2-9)13-7/h5-6,8-9H,1-4H2
InChIKeyZJIAAUGHLJCVSE-UHFFFAOYSA-N
MW288.58 g/mol
LogP3.15
Rot. Bonds2

About [3-(sulfanylmethyl)-1,4,6,9-tetrathiaspiro[4.4]nonan-8-yl]methanethiol

[3-(sulfanylmethyl)-1,4,6,9-tetrathiaspiro[4.4]nonan-8-yl]methanethiol (PubChem CID 59341509) has the molecular formula C7H12S6 and a molecular weight of 288.58 g/mol. Its IUPAC name is [3-(sulfanylmethyl)-1,4,6,9-tetrathiaspiro[4.4]nonan-8-yl]methanethiol.

Molecular Properties

Compound Name[3-(sulfanylmethyl)-1,4,6,9-tetrathiaspiro[4.4]nonan-8-yl]methanethiol
PubChem CID59341509
Molecular FormulaC7H12S6
Molecular Weight288.58 g/mol
Exact Mass287.93
IUPAC Name[3-(sulfanylmethyl)-1,4,6,9-tetrathiaspiro[4.4]nonan-8-yl]methanethiol
SMILESSCC1CSC2(SCC(CS)S2)S1
InChIInChI=1S/C7H12S6/c8-1-5-3-10-7(12-5)11-4-6(2-9)13-7/h5-6,8-9H,1-4H2
InChIKeyZJIAAUGHLJCVSE-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.58
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(sulfanylmethyl)-1,4,6,9-tetrathiaspiro[4.4]nonan-8-yl]methanethiol?
The IUPAC name of [3-(sulfanylmethyl)-1,4,6,9-tetrathiaspiro[4.4]nonan-8-yl]methanethiol (CID 59341509) is [3-(sulfanylmethyl)-1,4,6,9-tetrathiaspiro[4.4]nonan-8-yl]methanethiol.
What is the SMILES notation for [3-(sulfanylmethyl)-1,4,6,9-tetrathiaspiro[4.4]nonan-8-yl]methanethiol?
The canonical SMILES for [3-(sulfanylmethyl)-1,4,6,9-tetrathiaspiro[4.4]nonan-8-yl]methanethiol is SCC1CSC2(SCC(CS)S2)S1.
What is the InChIKey of [3-(sulfanylmethyl)-1,4,6,9-tetrathiaspiro[4.4]nonan-8-yl]methanethiol?
The InChIKey is ZJIAAUGHLJCVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12S6/c8-1-5-3-10-7(12-5)11-4-6(2-9)13-7/h5-6,8-9H,1-4H2.
What are the key properties of [3-(sulfanylmethyl)-1,4,6,9-tetrathiaspiro[4.4]nonan-8-yl]methanethiol?
[3-(sulfanylmethyl)-1,4,6,9-tetrathiaspiro[4.4]nonan-8-yl]methanethiol has a molecular weight of 288.58 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(sulfanylmethyl)-1,4,6,9-tetrathiaspiro[4.4]nonan-8-yl]methanethiol is sourced from PubChem (CID 59341509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).