4-Morpholinedithiocarbamate
Basic information
- CAS
3581-30-4- Standard SMILES
S=C(S)N1CCOCC1- InChIKey
NRMQMTQTYONMFY-UHFFFAOYSA-N- Molecular formula
- C5H9NOS2
- Average molar mass
- 163.3 g/mol
- Monoisotopic mass
- 163.01255626
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- 4-Morpholinedithiocarbamate
- IUPAC
- morpholine-4-carbodithioic acid
- English name
- 4-morpholinedithiocarbamate
- Molecular formula
- C5H9NOS2
- Molecular weight
- 163.26
Names & synonyms
3581-30-44-MorpholinedithiocarbamateDTXSID60189345RefChem:99982DTXCID90111836Morpholine-4-carbodithioic acid4-Morpholinecarbodithioic acidMorpholinodithiocarboxylic acidNSC63884MORPHOLINODITHIOFORMIC ACID, Na SALTNCIOpen2_000095SCHEMBL7331881
Show more names
4-Morpholinedithiocarboxylic acidMorpholine-4-dithiocarboxylic acid
CHEMBL2009938SCHEMBL10921979HMS3751I07PD1657471-Oxa-4-azacyclohexane-4-carbodithioic acidEN300-1067057Q27461545IT2
Database identifiers
- CAS
3581-30-4- PubChem CID
- 70116
- DTXSID
DTXSID60189345- ChEMBL
CHEMBL2009938- Nikkaji
- J24.469D
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 112
Physicochemical properties
- Boiling point
- 239 · 239.0±50.0 °C(Predicted)
- Density
- 1.303 · 1.303±0.06 g/cm3(Predicted)
- pka
- 3.27 · 3.27±0.20(Predicted)
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Related reactions
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Compound notes
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