Basic information
- CAS
40398-30-9- Standard SMILES
O=C(NC(=S)N1CCOCC1)c1ccccc1- InChIKey
OHHBPERPNJLQLV-UHFFFAOYSA-N- Molecular formula
- C12H14N2O2S
- Average molar mass
- 250.32 g/mol
- Monoisotopic mass
- 250.07759887
Overview
N1-morpholinocarbothioylbenzamide is a member of benzoic acids.
Names & identifiers
- Preferred name
- N-(morpholine-4-carbothioyl)benzamide
- IUPAC
- N-(morpholine-4-carbothioyl)benzamide
- English name
- N-(morpholine-4-carbothioyl)benzamide
- Molecular formula
- C12H14N2O2S
- Molecular weight
- 250.32
Names & synonyms
40398-30-9N-(morpholine-4-carbothioyl)benzamideN-(morpholine-4-carbonothioyl)benzamideN-(morpholinocarbothioyl)benzenecarboxamideMFCD00178433N-(4-morpholinylcarbothioyl)benzamideN-benzoylmorpholine-4-carboximidothioic acidn1-morpholinocarbothioylbenzamideNSC201499Maybridge1_005855CBMicro_008022CHEMBL4288163
Show more names
Benzamide, N-(4-morpholinylthioxomethyl)-
SCHEMBL12488830HMS558C03DTXSID40960795CHEBI:183331OHHBPERPNJLQLV-UHFFFAOYSA-NSMSF0005393N-benzoylmorpholine-4-carbothioamideCCG-42664
Database identifiers
- CAS
40398-30-9- PubChem CID
- 696258
- DTXSID
DTXSID40960795- ChEMBL
CHEMBL4288163- ChEBI
CHEBI:183331- Nikkaji
- J839.459H
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 73.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Melting point
- 144 · 144-145 °C
- Density
- 1.277 · 1.277±0.06 g/cm3(Predicted)
- pka
- 10.54 · 10.54±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers6 total
武汉壹加壹生物科技有限公司027-027-16602739303 16602739303 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
上海腾骞生物科技有限公司021-50895067 18616507272;13681616114;15020344067 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
Additional notes
DefinitionChEBI: N1-morpholinocarbothioylbenzamide is a member of benzoic acids.
Related reactions
2 records
Compound notes
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