[2-hydroxy-3-(morpholine-4-carbothioylsulfanyl)propyl] morpholine-4-carbodithioate

C13H22N2O3S4 — CID 10738700

IUPAC[2-hydroxy-3-(morpholine-4-carbothioylsulfanyl)propyl] morpholine-4-carbodithioate
SMILESOC(CSC(=S)N1CCOCC1)CSC(=S)N1CCOCC1
InChIInChI=1S/C13H22N2O3S4/c16-11(9-21-12(19)14-1-5-17-6-2-14)10-22-13(20)15-3-7-18-8-4-15/h11,16H,1-10H2
InChIKeyPDGUFUHAIKONCJ-UHFFFAOYSA-N
MW382.60 g/mol
LogP1.05
Rot. Bonds4

About [2-hydroxy-3-(morpholine-4-carbothioylsulfanyl)propyl] morpholine-4-carbodithioate

[2-hydroxy-3-(morpholine-4-carbothioylsulfanyl)propyl] morpholine-4-carbodithioate (PubChem CID 10738700) has the molecular formula C13H22N2O3S4 and a molecular weight of 382.60 g/mol. Its IUPAC name is [2-hydroxy-3-(morpholine-4-carbothioylsulfanyl)propyl] morpholine-4-carbodithioate.

Molecular Properties

Compound Name[2-hydroxy-3-(morpholine-4-carbothioylsulfanyl)propyl] morpholine-4-carbodithioate
PubChem CID10738700
Molecular FormulaC13H22N2O3S4
Molecular Weight382.60 g/mol
Exact Mass382.05
IUPAC Name[2-hydroxy-3-(morpholine-4-carbothioylsulfanyl)propyl] morpholine-4-carbodithioate
SMILESOC(CSC(=S)N1CCOCC1)CSC(=S)N1CCOCC1
InChIInChI=1S/C13H22N2O3S4/c16-11(9-21-12(19)14-1-5-17-6-2-14)10-22-13(20)15-3-7-18-8-4-15/h11,16H,1-10H2
InChIKeyPDGUFUHAIKONCJ-UHFFFAOYSA-N
XLogP1.05
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.60
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl] morpholine-4-carbodithioate
CID 132553254
2,3-dihydroxypropyl azepane-1-carbodithioate
CID 134066368
methyl morpholine-4-carbodithioate
CID 5043631
4-(morpholine-4-carbothioyldisulfanyl)butylsulfanyl morpholine-4-carbodithioate
CID 54116361
(3-morpholin-4-yl-3-oxopropyl) pyrrolidine-1-carbodithioate
CID 7342265
2-morpholin-4-ylethyl piperazine-1-carbodithioate
CID 125486501
methyl 3-(morpholine-4-carbothioylsulfanyl)propanoate
CID 3421253
CID 177489628
CID 177489628
[2-fluoro-3-(morpholine-4-carbothioylsulfanylmethyl)phenyl]methyl morpholine-4-carbodithioate
CID 2805277
ethane;1-morpholin-4-ylethanethione
CID 142226083
[4-(trifluoromethyl)phenyl]methyl morpholine-4-carbodithioate
CID 72723348
[2-oxo-2-(3-oxopyrazolidin-1-yl)ethyl] morpholine-4-carbodithioate
CID 3849867

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(morpholine-4-carbothioylsulfanyl)propyl] morpholine-4-carbodithioate?
The IUPAC name of [2-hydroxy-3-(morpholine-4-carbothioylsulfanyl)propyl] morpholine-4-carbodithioate (CID 10738700) is [2-hydroxy-3-(morpholine-4-carbothioylsulfanyl)propyl] morpholine-4-carbodithioate.
What is the SMILES notation for [2-hydroxy-3-(morpholine-4-carbothioylsulfanyl)propyl] morpholine-4-carbodithioate?
The canonical SMILES for [2-hydroxy-3-(morpholine-4-carbothioylsulfanyl)propyl] morpholine-4-carbodithioate is OC(CSC(=S)N1CCOCC1)CSC(=S)N1CCOCC1.
What is the InChIKey of [2-hydroxy-3-(morpholine-4-carbothioylsulfanyl)propyl] morpholine-4-carbodithioate?
The InChIKey is PDGUFUHAIKONCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S4/c16-11(9-21-12(19)14-1-5-17-6-2-14)10-22-13(20)15-3-7-18-8-4-15/h11,16H,1-10H2.
What are the key properties of [2-hydroxy-3-(morpholine-4-carbothioylsulfanyl)propyl] morpholine-4-carbodithioate?
[2-hydroxy-3-(morpholine-4-carbothioylsulfanyl)propyl] morpholine-4-carbodithioate has a molecular weight of 382.60 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(morpholine-4-carbothioylsulfanyl)propyl] morpholine-4-carbodithioate is sourced from PubChem (CID 10738700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).