Product Name: Diallylthiourea (CAS NO.6601-20-3)
Molecular Formula: C7H12N2S
Molecular Weight: 156.25g/mol
Mol File: 6601-20-3.mol
Melting Point: 48-50°C
Boiling point: 209.8 °C at 760 mmHg
Flash Point: 80.7 °C
Density: 0.995 g/cm3
Surface Tension: 38.6 dyne/cm
Enthalpy of Vaporization: 44.61 kJ/mol
Vapour Pressure: 0.199 mmHg at 25°C
XLogP3-AA: 1.2
H-Bond Donor: 2
H-Bond Acceptor: 0
Structure Descriptors of Diallylthiourea (CAS NO.6601-20-3):
IUPAC Name: 1,3-bis(prop-2-enyl)thiourea
Canonical SMILES: C=CCNC(=S)NCC=C
InChI: InChI=1S/C7H12N2S/c1-3-5-8-7(10)9-6-4-2/h3-4H,1-2,5-6H2,(H2,8,9,10)
InChIKey: DZZWKUMHMSNBSG-UHFFFAOYSA-N
1. | orl-rat LD50:500 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 90 (1947),260. |
Reported in EPA TSCA Inventory.
Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of NOx and SOx.
Safety Information of Diallylthiourea (CAS NO.6601-20-3):
Risk Statements: 20/21/22-36/37/38
20: Harmful by inhalation
21: Harmful in contact with skin
22: Harmful if swallowed
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements: 26-36/37/39
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
Diallylthiourea ,its CAS NO. is 6601-20-3,the synonyms is 1,1,3-Triallyl-2-thiourea ; 1,3-Diallyl-2-thiourea ; 1,3-Diallylthiourea ; 2-Thio-1,1,3-triallylurea ; Allyl thiourea ; Bisallylthiocarbamide ; N,N'-Bis-allylthiourea ; N,N-Diallylthiourea ; NSC 49252 ; Urea, 2-thio-1,1,3-triallyl- ; Thiourea, N,N'-di-2-propen-1-yl- ; Urea, 1,3-diallyl-2-thio- (8CI) .
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