CAS 122641-10-5 1-(2-Morpholinoethyl)-2-thiourea (HCID 2760134)

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Basic information

CAS: 122641-10-5
Standard SMILES: NC(=S)NCCN1CCOCC1
InChIKey: MIVHEVIWHMEELG-UHFFFAOYSA-N
Molecular formula: C7H15N3OS
Average molar mass: 189.28 g/mol
Monoisotopic mass: 189.0935831

Names & identifiers

Preferred name: 1-(2-Morpholinoethyl)-2-thiourea
IUPAC: 2-morpholin-4-ylethylthiourea
English name: 1-(2-MORPHOLINOETHYL)-2-THIOUREA
Molecular formula: C7H15N3OS
Molecular weight: 189.28

Names & synonyms

1-(2-Morpholinoethyl)-2-thiourea122641-10-5DTXSID70375035RefChem:223789DTXCID503260651-(2-Morpholinoethyl)thiourea2-morpholin-4-ylethylthioureaC7H15N3OSNSC372190SCHEMBL1606290SCHEMBL285352823-(2-morpholinoethyl)isothiourea

Show more names

2-(4-morpholinyl)ethylthioureaThiourea, N-[2-(4-morpholinyl)ethyl]-

MIVHEVIWHMEELG-UHFFFAOYSA-N(2-morpholin-4-yl-ethyl)-thiourea[2-(morpholin-4-yl)ethyl]thioureaN-(2-morpholin-4-ylethyl)thioureaMFCD00135123N-[2-(4-morpholinyl)ethyl]thioureaAKOS009281141N-[2-(Morpholin-4-yl)ethyl]thiourea

Database identifiers

CAS: 122641-10-5
PubChem CID: 2760134
DTXSID: DTXSID70375035
EC Number: 673-723-8

Properties

Computed structural properties

XLogP: -0.8
Topological polar surface area: 82.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 148

Physicochemical properties

Melting point: 105 · 105-108°C
Boiling point: 321.9 · 321.9±52.0 °C(Predicted)
Density: 1.182 · 1.182±0.06 g/cm3(Predicted)
pka: 14.62 · 14.62±0.70(Predicted)
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301
Precautionary statements: 501 · P501-P270-P264-P301+P310+P330-P405
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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.