morpholine-4-carbothioylsulfanyl morpholine-4-carbodithioate

C10H16N2O2S4 — CID 12892

IUPACmorpholine-4-carbothioylsulfanyl morpholine-4-carbodithioate
SMILESS=C(SSC(=S)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C10H16N2O2S4/c15-9(11-1-5-13-6-2-11)17-18-10(16)12-3-7-14-8-4-12/h1-8H2
InChIKeyKKVYOWPPMNSLCP-UHFFFAOYSA-N
MW324.52 g/mol
LogP1.60
Rot. Bonds

About morpholine-4-carbothioylsulfanyl morpholine-4-carbodithioate

morpholine-4-carbothioylsulfanyl morpholine-4-carbodithioate (PubChem CID 12892) has the molecular formula C10H16N2O2S4 and a molecular weight of 324.52 g/mol. Its IUPAC name is morpholine-4-carbothioylsulfanyl morpholine-4-carbodithioate.

Molecular Properties

Compound Namemorpholine-4-carbothioylsulfanyl morpholine-4-carbodithioate
PubChem CID12892
Molecular FormulaC10H16N2O2S4
Molecular Weight324.52 g/mol
Exact Mass324.01
IUPAC Namemorpholine-4-carbothioylsulfanyl morpholine-4-carbodithioate
SMILESS=C(SSC(=S)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C10H16N2O2S4/c15-9(11-1-5-13-6-2-11)17-18-10(16)12-3-7-14-8-4-12/h1-8H2
InChIKeyKKVYOWPPMNSLCP-UHFFFAOYSA-N
XLogP1.60
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.52
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze morpholine-4-carbothioylsulfanyl morpholine-4-carbodithioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of morpholine-4-carbothioylsulfanyl morpholine-4-carbodithioate?
The IUPAC name of morpholine-4-carbothioylsulfanyl morpholine-4-carbodithioate (CID 12892) is morpholine-4-carbothioylsulfanyl morpholine-4-carbodithioate.
What is the SMILES notation for morpholine-4-carbothioylsulfanyl morpholine-4-carbodithioate?
The canonical SMILES for morpholine-4-carbothioylsulfanyl morpholine-4-carbodithioate is S=C(SSC(=S)N1CCOCC1)N1CCOCC1.
What is the InChIKey of morpholine-4-carbothioylsulfanyl morpholine-4-carbodithioate?
The InChIKey is KKVYOWPPMNSLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S4/c15-9(11-1-5-13-6-2-11)17-18-10(16)12-3-7-14-8-4-12/h1-8H2.
What are the key properties of morpholine-4-carbothioylsulfanyl morpholine-4-carbodithioate?
morpholine-4-carbothioylsulfanyl morpholine-4-carbodithioate has a molecular weight of 324.52 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine-4-carbothioylsulfanyl morpholine-4-carbodithioate is sourced from PubChem (CID 12892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).