morpholin-4-ylsulfanylthiourea

C5H11N3OS2 — CID 14953327

IUPACmorpholin-4-ylsulfanylthiourea
SMILESNC(=S)NSN1CCOCC1
InChIInChI=1S/C5H11N3OS2/c6-5(10)7-11-8-1-3-9-4-2-8/h1-4H2,(H3,6,7,10)
InChIKeyIVFWGBWJOPSKBC-UHFFFAOYSA-N
MW193.30 g/mol
LogP-0.28
Rot. Bonds2

About morpholin-4-ylsulfanylthiourea

morpholin-4-ylsulfanylthiourea (PubChem CID 14953327) has the molecular formula C5H11N3OS2 and a molecular weight of 193.30 g/mol. Its IUPAC name is morpholin-4-ylsulfanylthiourea.

Molecular Properties

Compound Namemorpholin-4-ylsulfanylthiourea
PubChem CID14953327
Molecular FormulaC5H11N3OS2
Molecular Weight193.30 g/mol
Exact Mass193.03
IUPAC Namemorpholin-4-ylsulfanylthiourea
SMILESNC(=S)NSN1CCOCC1
InChIInChI=1S/C5H11N3OS2/c6-5(10)7-11-8-1-3-9-4-2-8/h1-4H2,(H3,6,7,10)
InChIKeyIVFWGBWJOPSKBC-UHFFFAOYSA-N
XLogP-0.28
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.30
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-morpholin-4-ylprop-2-enylthiourea
CID 87847320
dihydroxy-morpholin-4-ylsulfanyl-sulfanylidene-λ5-phosphane
CID 57206002
CID 177489628
CID 177489628
carbamodithioic acid;1,4-dioxane
CID 162121429
morpholin-4-yl thiohypofluorite
CID 139893676
N',N'-diethyl-2-morpholin-4-ylpropanedithioamide
CID 163986244
(1-morpholin-4-ylpropan-2-ylideneamino)thiourea
CID 154266598
morpholin-4-yl N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamodithioate
CID 101062746
1,3-oxazolidine-3-carbothioamide
CID 57154446
oxolane;thiourea
CID 158974032
ethane;4-methylsulfanylmorpholine
CID 143553073
(E)-morpholin-4-ylmethylidenethiourea
CID 13127078

Frequently Asked Questions

What is the IUPAC name of morpholin-4-ylsulfanylthiourea?
The IUPAC name of morpholin-4-ylsulfanylthiourea (CID 14953327) is morpholin-4-ylsulfanylthiourea.
What is the SMILES notation for morpholin-4-ylsulfanylthiourea?
The canonical SMILES for morpholin-4-ylsulfanylthiourea is NC(=S)NSN1CCOCC1.
What is the InChIKey of morpholin-4-ylsulfanylthiourea?
The InChIKey is IVFWGBWJOPSKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3OS2/c6-5(10)7-11-8-1-3-9-4-2-8/h1-4H2,(H3,6,7,10).
What are the key properties of morpholin-4-ylsulfanylthiourea?
morpholin-4-ylsulfanylthiourea has a molecular weight of 193.30 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-ylsulfanylthiourea is sourced from PubChem (CID 14953327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).