Thiobenzoylmorpholine
Basic information
- CAS
2032-36-2- Standard SMILES
S=C(c1ccccc1)N1CCOCC1- InChIKey
AEKJTLISCSMKLR-UHFFFAOYSA-N- Molecular formula
- C11H13NOS
- Average molar mass
- 207.29 g/mol
- Monoisotopic mass
- 207.07178521
Names & identifiers
- Preferred name
- Thiobenzoylmorpholine
- IUPAC
- morpholin-4-yl(phenyl)methanethione
- English name
- Phenylmorpholino thioketone
- Molecular formula
- C11H13NOS
- Molecular weight
- 207.29
Names & synonyms
2032-36-2ThiobenzoylmorpholineMORPHOLINE, 4-(THIOBENZOYL)-4-(Thiobenzoyl)morpholineMorpholinylthiobenzamideThiobenzomorpholideMorpholine, 4-(phenylthioxomethyl)-4-thiobenzoylmorpholineNSC 406657BRN 01480244-(Phenylthioxomethyl)morpholineAI3-04872
Show more names
4-benzothioylmorpholinePhenylmorpholino thioketone
A6178K128RNSC-406657N-THIOBENZOYLMORPHOLINEDTXSID301742084-(THIOBENZOYL)-MORPHOLINE4-27-00-00281 (Beilstein Handbook Reference)Methanethione, 4-morpholinylphenyl-4-MORPHOLINYLPHENYLMETHANETHIONE
Database identifiers
- CAS
2032-36-2- PubChem CID
- 16244
- DTXSID
DTXSID30174208- ChEMBL
CHEMBL2262740- UNII
- A6178K128R
- EC Number
- 653-546-2
- Nikkaji
- J322.633F
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 44.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Melting point
- 137.5 · 137.5-138.5 °C
- Boiling point
- 322.2 · 322.2±52.0 °C(Predicted)
- Density
- 1.195 · 1.195±0.06 g/cm3(Predicted)
- pka
- 1.04 · 1.04±0.20(Predicted)
- FDA UNII
- 6178 K128R · A6178K128R
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H315-H318
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H315-H318
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Suppliers
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Related reactions
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Compound notes
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