ethyl morpholin-4-ylcarbamothioylsulfanylformate

C8H14N2O3S2 — CID 154184493

IUPACethyl morpholin-4-ylcarbamothioylsulfanylformate
SMILESCCOC(=O)SC(=S)NN1CCOCC1
InChIInChI=1S/C8H14N2O3S2/c1-2-13-8(11)15-7(14)9-10-3-5-12-6-4-10/h2-6H2,1H3,(H,9,14)
InChIKeyNNXHJRSBMWXDDN-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.00
Rot. Bonds2

About ethyl morpholin-4-ylcarbamothioylsulfanylformate

ethyl morpholin-4-ylcarbamothioylsulfanylformate (PubChem CID 154184493) has the molecular formula C8H14N2O3S2 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl morpholin-4-ylcarbamothioylsulfanylformate.

Molecular Properties

Compound Nameethyl morpholin-4-ylcarbamothioylsulfanylformate
PubChem CID154184493
Molecular FormulaC8H14N2O3S2
Molecular Weight250.34 g/mol
Exact Mass250.04
IUPAC Nameethyl morpholin-4-ylcarbamothioylsulfanylformate
SMILESCCOC(=O)SC(=S)NN1CCOCC1
InChIInChI=1S/C8H14N2O3S2/c1-2-13-8(11)15-7(14)9-10-3-5-12-6-4-10/h2-6H2,1H3,(H,9,14)
InChIKeyNNXHJRSBMWXDDN-UHFFFAOYSA-N
XLogP1.00
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl morpholin-4-ylcarbamothioylsulfanylformate?
The IUPAC name of ethyl morpholin-4-ylcarbamothioylsulfanylformate (CID 154184493) is ethyl morpholin-4-ylcarbamothioylsulfanylformate.
What is the SMILES notation for ethyl morpholin-4-ylcarbamothioylsulfanylformate?
The canonical SMILES for ethyl morpholin-4-ylcarbamothioylsulfanylformate is CCOC(=O)SC(=S)NN1CCOCC1.
What is the InChIKey of ethyl morpholin-4-ylcarbamothioylsulfanylformate?
The InChIKey is NNXHJRSBMWXDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S2/c1-2-13-8(11)15-7(14)9-10-3-5-12-6-4-10/h2-6H2,1H3,(H,9,14).
What are the key properties of ethyl morpholin-4-ylcarbamothioylsulfanylformate?
ethyl morpholin-4-ylcarbamothioylsulfanylformate has a molecular weight of 250.34 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl morpholin-4-ylcarbamothioylsulfanylformate is sourced from PubChem (CID 154184493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).