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Name |
Thiourea,N-(4-hydroxyphenyl)- |
EINECS | N/A |
CAS No. | 1520-27-0 | Density | 1.45 g/cm3 |
PSA | 90.37000 | LogP | 1.82100 |
Solubility | N/A | Melting Point |
214 °C |
Formula | C7H8N2OS | Boiling Point | 341.5 °C at 760 mmHg |
Molecular Weight | 168.219 | Flash Point | 160.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 22-36/37 | Risk Codes | 22 |
Molecular Structure | Hazard Symbols | R22:Harmful if swallowed.; | |
Synonyms |
Thiourea,(4-hydroxyphenyl)- (9CI);Urea, 1-(p-hydroxyphenyl)-2-thio- (6CI,7CI,8CI);1-(4-Hydroxyphenyl)thiourea;4-Hydroxyphenylthiourea;4-Thioureidophenol;N-(4-Hydroxyphenyl)thiourea;NSC 43638;p-Hydroxyphenylthiourea; |
Article Data | 20 |
The Thiourea,N-(4-hydroxyphenyl)-, with the CAS registry number 1520-27-0, is also known as (4-Hydroxyphenyl)thiourea. This chemical's molecular formula is C7H8N2OS and molecular weight is 168.21622. Its IUPAC name is called (4-hydroxyphenyl)thiourea.
Physical properties of Thiourea,N-(4-hydroxyphenyl)-: (1)ACD/LogP: -0.01; (2)ACD/LogD (pH 5.5): -0.01; (3)ACD/LogD (pH 7.4): -0.02; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 23.4; (7)ACD/KOC (pH 7.4): 23.27; (8)#H bond acceptors: 3; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.777; (12)Molar Refractivity: 48.56 cm3; (13)Molar Volume: 115.9 cm3; (14)Surface Tension: 89.5 dyne/cm; (15)Density: 1.45 g/cm3; (16)Flash Point: 160.3 °C; (17)Enthalpy of Vaporization: 60.83 kJ/mol; (18)Boiling Point: 341.5 °C at 760 mmHg; (19)Vapour Pressure: 4.05E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by N-benzoyl-N'-(4-hydroxy-phenyl)-thiourea. This reaction will need reagent 5percent aq. NaOH. The reaction time is 20 min with reaction temperature of 75 - 80 °C. The yield is about 100%.
Uses of Thiourea,N-(4-hydroxyphenyl)-: it can be used to produce N-(4-hydroxy-phenyl)-S-methyl-isothiourea; hydriodide by heating. This reaction will need solvent methanol with reaction time of 4 hours. The yield is about 91%.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. You should not breathe its dust. Whenever you will contact it, please wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1NC(=S)N)O
(2)InChI: InChI=1S/C7H8N2OS/c8-7(11)9-5-1-3-6(10)4-2-5/h1-4,10H,(H3,8,9,11)
(3)InChIKey: QICKOOCQSYZYQB-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 100mg/kg (100mg/kg) | National Technical Information Service. Vol. AD277-689, | |
rabbit | LDLo | oral | 300mg/kg (300mg/kg) | Journal of Medicinal and Pharmaceutical Chemistry. Vol. 4, Pg. 109, 1961. |