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2986-17-6

Basic Information
CAS No.: 2986-17-6
Name: Thiourea,N,N'-bis(1-methylethyl)-
Molecular Structure:
Molecular Structure of 2986-17-6 (Thiourea,N,N'-bis(1-methylethyl)-)
Formula: C7H16N2S
Molecular Weight: 160.31
Synonyms: Urea,1,3-diisopropyl-2-thio- (6CI,7CI,8CI);1,3-Diisopropyl-2-thiourea;1,3-Diisopropylthiourea;Diisopropylthiourea;NSC8694;
EINECS: 221-051-7
Density: 0.957 g/cm3
Melting Point: 143-145 °C(lit.)
Boiling Point: 200.2 °C at 760 mmHg
Flash Point: 74.9 °C
Solubility:
Appearance:
Hazard Symbols: ToxicT
Risk Codes: 23/24/25
Safety: 27-28-36/37/39-45
Transport Information:
PSA: 56.15000
LogP: 2.04910
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Chemistry

Molecular Formula: C7H16N2S
Molar mass: 160.28 g/mol
EINECS: 221-051-7
Density: 0.957 g/cm3
Flash Point: 74.9 °C
Index of Refraction: 1.495
Boiling Point: 200.2 °C at 760 mmHg
Vapour Pressure: 0.329 mmHg at 25°C
Melting point: 143-145 °C(lit.)
Product categories of N,N'-Diisopropylthiourea (2986-17-6): Sulfur Compounds;Organic Building Blocks;Thioureas
Structure of N,N'-Diisopropylthiourea (2986-17-6):
                        
XLogP3-AA: 1.6
H-Bond Donor: 2
H-Bond Acceptor: 0
IUPAC Name: 1,3-Di(propan-2-yl)thiourea
Canonical SMILES: CC(C)NC(=S)NC(C)C
InChI: InChI=1S/C7H16N2S/c1-5(2)8-7(10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10) 
InChIKey: KREOCUNMMFZOOS-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:450 mg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 90 (1947),260.
2.    

orl-mus LDLo:1070 mg/kg

    AECTCV    Archives of Environmental Contamination and Toxicology. 14 (1985),111.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of NOx and SOx.
Hazard Codes: T
Risk Statements:
23:  Toxic by inhalation
24:  Toxic in contact with skin
25:  Toxic if swallowed
Safety Statements:
27:  Take off immediately all contaminated clothing
28:  After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer)
36:  Wear suitable protective clothing 
37:  Wear suitable gloves
39:  Wear eye/face protection
45:  In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)

Specification

 N,N'-Diisopropylthiourea (2986-17-6) also can be called N,N'-Diisopropylthiourea ; 1,3-Diisopropyl-2-thiourea ; 1, 3-Diisopropylthiourea ; Diisopropylthiourea .