3-Methyl-1-[2-(morpholin-4-yl)ethyl]thiourea
Basic information
- CAS
15775-99-2- Standard SMILES
CNC(=S)NCCN1CCOCC1- InChIKey
QFPGFKATIZNPLQ-UHFFFAOYSA-N- Molecular formula
- C8H17N3OS
- Average molar mass
- 203.31 g/mol
- Monoisotopic mass
- 203.10923335
Names & identifiers
- Preferred name
- 3-Methyl-1-[2-(morpholin-4-yl)ethyl]thiourea
- IUPAC
- 1-methyl-3-(2-morpholin-4-ylethyl)thiourea
- English name
- 3-methyl-1-[2-(morpholin-4-yl)ethyl]thiourea
- Molecular formula
- C8H17N3OS
- Molecular weight
- 203.31
Names & synonyms
3-methyl-1-[2-(morpholin-4-yl)ethyl]thiourea15775-99-21-methyl-3-(2-morpholin-4-ylethyl)thioureaSDCCGMLS-0065194.P001MLS000677001CHEMBL1486547SCHEMBL14030167HMS1588I20HMS2552M03QAA77599STK011986AKOS005376834
Show more names
Thiourea, N-methyl-N'-[2-(4-morpholinyl)ethyl]-
SMR000270822CS-0258063EN300-689721-methyl-3-[2-(morpholin-4-yl)ethyl]thioureaG20843N-methyl-N'-[2-(4-morpholinyl)ethyl]thiourea
Database identifiers
- CAS
15775-99-2- PubChem CID
- 800073
- ChEMBL
CHEMBL1486547- EC Number
- 113-204-0
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 68.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Boiling point
- 304.5 · 304.5±52.0 °C(Predicted)
- Density
- 1.118 · 1.118±0.06 g/cm3(Predicted)
- pka
- 14.51 · 14.51±0.70(Predicted)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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