cyclotetradecane-1,2,3,4-tetrathione

C14H20S4 — CID 87490908

IUPACcyclotetradecane-1,2,3,4-tetrathione
SMILESS=C1CCCCCCCCCCC(=S)C(=S)C1=S
InChIInChI=1S/C14H20S4/c15-11-9-7-5-3-1-2-4-6-8-10-12(16)14(18)13(11)17/h1-10H2
InChIKeyMSZSJOMUDPLESW-UHFFFAOYSA-N
MW316.58 g/mol
LogP5.38
Rot. Bonds

About cyclotetradecane-1,2,3,4-tetrathione

cyclotetradecane-1,2,3,4-tetrathione (PubChem CID 87490908) has the molecular formula C14H20S4 and a molecular weight of 316.58 g/mol. Its IUPAC name is cyclotetradecane-1,2,3,4-tetrathione.

Molecular Properties

Compound Namecyclotetradecane-1,2,3,4-tetrathione
PubChem CID87490908
Molecular FormulaC14H20S4
Molecular Weight316.58 g/mol
Exact Mass316.04
IUPAC Namecyclotetradecane-1,2,3,4-tetrathione
SMILESS=C1CCCCCCCCCCC(=S)C(=S)C1=S
InChIInChI=1S/C14H20S4/c15-11-9-7-5-3-1-2-4-6-8-10-12(16)14(18)13(11)17/h1-10H2
InChIKeyMSZSJOMUDPLESW-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.58
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclotetradecane-1,2,3,4-tetrathione?
The IUPAC name of cyclotetradecane-1,2,3,4-tetrathione (CID 87490908) is cyclotetradecane-1,2,3,4-tetrathione.
What is the SMILES notation for cyclotetradecane-1,2,3,4-tetrathione?
The canonical SMILES for cyclotetradecane-1,2,3,4-tetrathione is S=C1CCCCCCCCCCC(=S)C(=S)C1=S.
What is the InChIKey of cyclotetradecane-1,2,3,4-tetrathione?
The InChIKey is MSZSJOMUDPLESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20S4/c15-11-9-7-5-3-1-2-4-6-8-10-12(16)14(18)13(11)17/h1-10H2.
What are the key properties of cyclotetradecane-1,2,3,4-tetrathione?
cyclotetradecane-1,2,3,4-tetrathione has a molecular weight of 316.58 g/mol, XLogP of 5.38, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclotetradecane-1,2,3,4-tetrathione is sourced from PubChem (CID 87490908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).