cyclohexanecarbothioylsulfanyl cyclohexanecarbodithioate

C14H22S4 — CID 59257514

IUPACcyclohexanecarbothioylsulfanyl cyclohexanecarbodithioate
SMILESS=C(SSC(=S)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H22S4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyKQILOMACUXWZJZ-UHFFFAOYSA-N
MW318.60 g/mol
LogP6.18
Rot. Bonds2

About cyclohexanecarbothioylsulfanyl cyclohexanecarbodithioate

cyclohexanecarbothioylsulfanyl cyclohexanecarbodithioate (PubChem CID 59257514) has the molecular formula C14H22S4 and a molecular weight of 318.60 g/mol. Its IUPAC name is cyclohexanecarbothioylsulfanyl cyclohexanecarbodithioate.

Molecular Properties

Compound Namecyclohexanecarbothioylsulfanyl cyclohexanecarbodithioate
PubChem CID59257514
Molecular FormulaC14H22S4
Molecular Weight318.60 g/mol
Exact Mass318.06
IUPAC Namecyclohexanecarbothioylsulfanyl cyclohexanecarbodithioate
SMILESS=C(SSC(=S)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H22S4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyKQILOMACUXWZJZ-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.60
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexanecarbothioylsulfanyl cyclohexanecarbodithioate?
The IUPAC name of cyclohexanecarbothioylsulfanyl cyclohexanecarbodithioate (CID 59257514) is cyclohexanecarbothioylsulfanyl cyclohexanecarbodithioate.
What is the SMILES notation for cyclohexanecarbothioylsulfanyl cyclohexanecarbodithioate?
The canonical SMILES for cyclohexanecarbothioylsulfanyl cyclohexanecarbodithioate is S=C(SSC(=S)C1CCCCC1)C1CCCCC1.
What is the InChIKey of cyclohexanecarbothioylsulfanyl cyclohexanecarbodithioate?
The InChIKey is KQILOMACUXWZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22S4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h11-12H,1-10H2.
What are the key properties of cyclohexanecarbothioylsulfanyl cyclohexanecarbodithioate?
cyclohexanecarbothioylsulfanyl cyclohexanecarbodithioate has a molecular weight of 318.60 g/mol, XLogP of 6.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanecarbothioylsulfanyl cyclohexanecarbodithioate is sourced from PubChem (CID 59257514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).