(cyclohexylsulfanylcarbothioyldisulfanyl)methanedithioic acid

C8H12S6 — CID 87477788

IUPAC(cyclohexylsulfanylcarbothioyldisulfanyl)methanedithioic acid
SMILESS=C(S)SSC(=S)SC1CCCCC1
InChIInChI=1S/C8H12S6/c9-7(10)13-14-8(11)12-6-4-2-1-3-5-6/h6H,1-5H2,(H,9,10)
InChIKeyTTZMYNUTKSHWEZ-UHFFFAOYSA-N
MW300.59 g/mol
LogP4.93
Rot. Bonds1

About (cyclohexylsulfanylcarbothioyldisulfanyl)methanedithioic acid

(cyclohexylsulfanylcarbothioyldisulfanyl)methanedithioic acid (PubChem CID 87477788) has the molecular formula C8H12S6 and a molecular weight of 300.59 g/mol. Its IUPAC name is (cyclohexylsulfanylcarbothioyldisulfanyl)methanedithioic acid.

Molecular Properties

Compound Name(cyclohexylsulfanylcarbothioyldisulfanyl)methanedithioic acid
PubChem CID87477788
Molecular FormulaC8H12S6
Molecular Weight300.59 g/mol
Exact Mass299.93
IUPAC Name(cyclohexylsulfanylcarbothioyldisulfanyl)methanedithioic acid
SMILESS=C(S)SSC(=S)SC1CCCCC1
InChIInChI=1S/C8H12S6/c9-7(10)13-14-8(11)12-6-4-2-1-3-5-6/h6H,1-5H2,(H,9,10)
InChIKeyTTZMYNUTKSHWEZ-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.59
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (cyclohexylsulfanylcarbothioyldisulfanyl)methanedithioic acid?
The IUPAC name of (cyclohexylsulfanylcarbothioyldisulfanyl)methanedithioic acid (CID 87477788) is (cyclohexylsulfanylcarbothioyldisulfanyl)methanedithioic acid.
What is the SMILES notation for (cyclohexylsulfanylcarbothioyldisulfanyl)methanedithioic acid?
The canonical SMILES for (cyclohexylsulfanylcarbothioyldisulfanyl)methanedithioic acid is S=C(S)SSC(=S)SC1CCCCC1.
What is the InChIKey of (cyclohexylsulfanylcarbothioyldisulfanyl)methanedithioic acid?
The InChIKey is TTZMYNUTKSHWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S6/c9-7(10)13-14-8(11)12-6-4-2-1-3-5-6/h6H,1-5H2,(H,9,10).
What are the key properties of (cyclohexylsulfanylcarbothioyldisulfanyl)methanedithioic acid?
(cyclohexylsulfanylcarbothioyldisulfanyl)methanedithioic acid has a molecular weight of 300.59 g/mol, XLogP of 4.93, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclohexylsulfanylcarbothioyldisulfanyl)methanedithioic acid is sourced from PubChem (CID 87477788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).