cyclohexane-1,2,3,5-tetracarbothialdehyde

C10H12S4 — CID 56978506

IUPACcyclohexane-1,2,3,5-tetracarbothialdehyde
SMILESS=CC1CC(C=S)C(C=S)C(C=S)C1
InChIInChI=1S/C10H12S4/c11-3-7-1-8(4-12)10(6-14)9(2-7)5-13/h3-10H,1-2H2
InChIKeyIZHHTELSKXXFNB-UHFFFAOYSA-N
MW260.47 g/mol
LogP3.24
Rot. Bonds4

About cyclohexane-1,2,3,5-tetracarbothialdehyde

cyclohexane-1,2,3,5-tetracarbothialdehyde (PubChem CID 56978506) has the molecular formula C10H12S4 and a molecular weight of 260.47 g/mol. Its IUPAC name is cyclohexane-1,2,3,5-tetracarbothialdehyde.

Molecular Properties

Compound Namecyclohexane-1,2,3,5-tetracarbothialdehyde
PubChem CID56978506
Molecular FormulaC10H12S4
Molecular Weight260.47 g/mol
Exact Mass259.98
IUPAC Namecyclohexane-1,2,3,5-tetracarbothialdehyde
SMILESS=CC1CC(C=S)C(C=S)C(C=S)C1
InChIInChI=1S/C10H12S4/c11-3-7-1-8(4-12)10(6-14)9(2-7)5-13/h3-10H,1-2H2
InChIKeyIZHHTELSKXXFNB-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.47
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,2,3,5-tetracarbothialdehyde?
The IUPAC name of cyclohexane-1,2,3,5-tetracarbothialdehyde (CID 56978506) is cyclohexane-1,2,3,5-tetracarbothialdehyde.
What is the SMILES notation for cyclohexane-1,2,3,5-tetracarbothialdehyde?
The canonical SMILES for cyclohexane-1,2,3,5-tetracarbothialdehyde is S=CC1CC(C=S)C(C=S)C(C=S)C1.
What is the InChIKey of cyclohexane-1,2,3,5-tetracarbothialdehyde?
The InChIKey is IZHHTELSKXXFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S4/c11-3-7-1-8(4-12)10(6-14)9(2-7)5-13/h3-10H,1-2H2.
What are the key properties of cyclohexane-1,2,3,5-tetracarbothialdehyde?
cyclohexane-1,2,3,5-tetracarbothialdehyde has a molecular weight of 260.47 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,2,3,5-tetracarbothialdehyde is sourced from PubChem (CID 56978506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).