-
Name
1-[2-(METHYLTHIO)PHENYL]-2-THIOUREA
- EINECS
- CAS No. 59084-10-5
- Article Data3
- CAS DataBase
- Density 1.29g/cm3
- Solubility
- Melting Point 168-170 °C
- Formula C8H10N2S2
- Boiling Point 318.5 °C at 760 mmHg
- Molecular Weight 198.31
- Flash Point 146.4 °C
- Transport Information
- Appearance
- Safety 26-36/37/39
- Risk Codes 36/37/38
-
Molecular Structure
- Hazard Symbols
- Synonyms 1-[2-(Methylsulfanyl)phenyl]thiourea;
- PSA 95.44000
- LogP 2.83730
Thiourea,N-[2-(methylthio)phenyl]- Specification
The Thiourea,N-[2-(methylthio)phenyl]-, with the CAS registry number of 59084-10-5, is also known as 1-[2-(Methylsulfanyl)phenyl]thiourea. Its molecular formula is C8H10N2S2 and molecular weight is 198.31. What's more, its IUPAC name is (2-Methylsulfanylphenyl)thiourea.
Physical properties about the Thiourea,N-[2-(methylthio)phenyl]- are: (1)ACD/LogP: 1.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3.37; (6)ACD/BCF (pH 7.4): 3.36; (7)ACD/KOC (pH 5.5): 82.95; (8)ACD/KOC (pH 7.4): 82.95; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 63.87 Å2; (13)Index of Refraction: 1.686; (14)Molar Refractivity: 58.4 cm3; (15)Molar Volume: 153.4 cm3; (16)Surface Tension: 67 dyne/cm; (17)Density: 1.29 g/cm3; (18)Flash Point: 146.4 °C; (19)Enthalpy of Vaporization: 56 kJ/mol; (20)Boiling Point: 318.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00036 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1) SMILES: S=C(Nc1ccccc1SC)N
(2) InChI: InChI=1/C8H10N2S2/c1-12-7-5-3-2-4-6(7)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
(3) InChIKey: SFMWWKUSCXABIB-UHFFFAOYAR
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