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2445-60-5

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Basic Information
CAS No.: 2445-60-5
Name: 1,3-DIMETHYL-5-[(1-METHYL-2-PYRROLIDINYLIDENE)ETHYLIDENE]-2-THIOXO-4-IMIDAZOLIDINONE
Molecular Structure:
Molecular Structure of 2445-60-5 (1,3-DIMETHYL-5-[(1-METHYL-2-PYRROLIDINYLIDENE)ETHYLIDENE]-2-THIOXO-4-IMIDAZOLIDINONE)
Formula: C12H17 N3 O S
Molecular Weight: 251.352
Synonyms: 4-Imidazolidinone,1,3-dimethyl-5-[(1-methyl-2-pyrrolidinylidene)ethylidene]-2-thioxo- (9CI);Hydantoin, 1,3-dimethyl-5-[2-(1-methyl-2-pyrrolidinylidene)ethylidene]-2-thio-(6CI,7CI,8CI); NSC 119678
Density: 1.27g/cm3
Melting Point: 197-201 °C(lit.)
Boiling Point: 333.6°Cat760mmHg
Flash Point: 155.5°C
Hazard Symbols:
Risk Codes: 36/37/38
Safety:
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36
WGK Germany 3
PSA: 58.88000
LogP: 0.98220
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Chemistry

Molecular structure of 1,3-Dimethyl-5-[(1-methyl-2-pyrrolidinylidene)ethylidene]-2-thioxoimidazolidine-4-one (CAS NO.2445-60-5) is:

Product Name: 1,3-Dimethyl-5-[(1-methyl-2-pyrrolidinylidene)ethylidene]-2-thioxoimidazolidine-4-one
CAS Registry Number: 2445-60-5
IUPAC Name: (5E)-1,3-dimethyl-5-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one
Molecular Weight: 251.34788 [g/mol]  
Molecular Formula: C12H17N3OS  
XLogP3-AA: 1.4  
H-Bond Donor: 0  
H-Bond Acceptor: 2
EINECS: 219-490-4
Melting Point: 197-201 °C(lit.)
Index of Refraction: 1.646 
Molar Refractivity: 71.75 cm3 
Molar Volume: 197.5 cm3
Surface Tension: 60.1 dyne/cm 
Density: 1.27 g/cm3 
Flash Point: 155.5 °C 
Enthalpy of Vaporization: 57.64 kJ/mol 
Boiling Point: 333.6 °C at 760 mmHg 
Vapour Pressure: 0.000136 mmHg at 25 °C 
Product Categories: Building Blocks;Heterocyclic Building Blocks;Pyrrolidines
Canonical SMILES: CN1CCCC1=CC=C2C(=O)N(C(=S)N2C)C
Isomeric SMILES: CN\1CCC/C1=C\C=C\2/C(=O)N(C(=S)N2C)C
InChI: InChI=1S/C12H17N3OS/c1-13-8-4-5-9(13)6-7-10-11(16)15(3)12(17)14(10)2/h6-7H,4-5,8H2,1-3H3/b9-6+,10-7+ 
InChIKey: SXRPCRZFBUCPSR-KZZDLZNXSA-N

Safety Profile

Safty information about 1,3-Dimethyl-5-[(1-methyl-2-pyrrolidinylidene)ethylidene]-2-thioxoimidazolidine-4-one (CAS NO.2445-60-5) is:
Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 3

Specification

 1,3-Dimethyl-5-[(1-methyl-2-pyrrolidinylidene)ethylidene]-2-thioxoimidazolidine-4-one , its cas register number is 2445-60-5. It also can be called 4-Imidazolidinone,1,3-dimethyl-5-[2-(1-methyl-2-pyrrolidinylidene)ethylidene]-2-thioxo- .