morpholin-4-yloxycarbonylcarbamodithioic acid

C6H10N2O3S2 — CID 175282224

IUPACmorpholin-4-yloxycarbonylcarbamodithioic acid
SMILESO=C(NC(=S)S)ON1CCOCC1
InChIInChI=1S/C6H10N2O3S2/c9-5(7-6(12)13)11-8-1-3-10-4-2-8/h1-4H2,(H2,7,9,12,13)
InChIKeyWMSNOSXISWRALU-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.17
Rot. Bonds1

About morpholin-4-yloxycarbonylcarbamodithioic acid

morpholin-4-yloxycarbonylcarbamodithioic acid (PubChem CID 175282224) has the molecular formula C6H10N2O3S2 and a molecular weight of 222.29 g/mol. Its IUPAC name is morpholin-4-yloxycarbonylcarbamodithioic acid.

Molecular Properties

Compound Namemorpholin-4-yloxycarbonylcarbamodithioic acid
PubChem CID175282224
Molecular FormulaC6H10N2O3S2
Molecular Weight222.29 g/mol
Exact Mass222.01
IUPAC Namemorpholin-4-yloxycarbonylcarbamodithioic acid
SMILESO=C(NC(=S)S)ON1CCOCC1
InChIInChI=1S/C6H10N2O3S2/c9-5(7-6(12)13)11-8-1-3-10-4-2-8/h1-4H2,(H2,7,9,12,13)
InChIKeyWMSNOSXISWRALU-UHFFFAOYSA-N
XLogP0.17
TPSA50.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

morpholin-4-yl N-morpholin-4-ylcarbamate
CID 57465870
1,4,7,10,13-pentaoxa-16-azacyclooctadecane-16-carbodithioic acid
CID 11187568
morpholin-4-yl dihydrogen phosphate
CID 57078331
tert-butyl N-(morpholine-4-carbothioyl)carbamate
CID 24894287
morpholin-4-yl nitrite
CID 57324165
N-methoxy-1-morpholin-4-yloxyethenamine
CID 59857776
methyl (2R)-3-methyl-2-morpholin-4-ylbutanoate
CID 30031078
4-morpholin-4-yloxymorpholine;dihydrochloride
CID 174483627
methyl morpholine-4-carboxylate
CID 12575354
N-methoxy-2-morpholin-4-yloxyprop-2-en-1-amine
CID 59857722
butane;1-O-heptyl 3-O-morpholin-4-yl propanedioate
CID 67683547
4-(trioxidanyl)morpholine
CID 58031133

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yloxycarbonylcarbamodithioic acid?
The IUPAC name of morpholin-4-yloxycarbonylcarbamodithioic acid (CID 175282224) is morpholin-4-yloxycarbonylcarbamodithioic acid.
What is the SMILES notation for morpholin-4-yloxycarbonylcarbamodithioic acid?
The canonical SMILES for morpholin-4-yloxycarbonylcarbamodithioic acid is O=C(NC(=S)S)ON1CCOCC1.
What is the InChIKey of morpholin-4-yloxycarbonylcarbamodithioic acid?
The InChIKey is WMSNOSXISWRALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3S2/c9-5(7-6(12)13)11-8-1-3-10-4-2-8/h1-4H2,(H2,7,9,12,13).
What are the key properties of morpholin-4-yloxycarbonylcarbamodithioic acid?
morpholin-4-yloxycarbonylcarbamodithioic acid has a molecular weight of 222.29 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yloxycarbonylcarbamodithioic acid is sourced from PubChem (CID 175282224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).