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30837-62-8

Basic Information
CAS No.: 30837-62-8
Name: 1H,3H-PERIMIDINE-2-THIONE
Article Data: 18
Molecular Structure:
Molecular Structure of 30837-62-8 (1H,3H-PERIMIDINE-2-THIONE)
Formula: C11H8N2S
Molecular Weight: 200.264
Synonyms: Perimidine-2-thiol(8CI);1,3-(1,8-Naphthylene)thiourea;2-Mercapto-1H-perimidine;2-Mercaptoperimidine;Thioperimidone;1,3-(1,8-Naphthylene)-2-thiourea;Perimidine-2(3H)-thione;Thiourea, N,N'-(1,8-naphthalenediyl)-;
Density: 1.4 g/cm3
Boiling Point: 393.2 °C at 760 mmHg
Flash Point: 191.6 °C
PSA: 67.48000
LogP: 3.00480
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    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, s

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    factory?direct?saleAppearance:White powder Storage:Sealed and preserved Package:200/Kilograms Application:healing drugs Transportation:By sea Port:Shanghai/tianjin

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Specification

The 1H-Perimidine-2(3H)-thione is an organic compound with the formula C11H8N2S. The IUPAC name of this chemical is 2-propan-2-ylpent-4-enamide. With the CAS registry number 30837-62-8, it is also named as 1H,3H-Perimidine-2-thione.

Physical properties about 1H-Perimidine-2(3H)-thione are: (1)ACD/LogP: 1.68; (2)ACD/LogD (pH 5.5): 0.41; (3)ACD/LogD (pH 7.4): 0.41; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.31; (7)ACD/KOC (pH 7.4): 3.3; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)Polar Surface Area: 38.57 Å2; (11)Index of Refraction: 1.81; (12)Molar Refractivity: 61.3 cm3; (13)Molar Volume: 142 cm3; (14)Polarizability: 24.3×10-24cm3; (15)Surface Tension: 76.6 dyne/cm; (16)Density: 1.4 g/cm3; (17)Flash Point: 191.6 °C; (18)Enthalpy of Vaporization: 64.31 kJ/mol; (19)Boiling Point: 393.2 °C at 760 mmHg; (20)Vapour Pressure: 2.17E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C3Nc2cccc1cccc(c12)N3
(2)InChI: InChI=1/C11H8N2S/c14-11-12-8-5-1-3-7-4-2-6-9(13-11)10(7)8/h1-6H,(H2,12,13,14)
(3)InChIKey: ZASDGLJUXIVFDL-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C11H8N2S/c14-11-12-8-5-1-3-7-4-2-6-9(13-11)10(7)8/h1-6H,(H2,12,13,14)
(5)Std. InChIKey: ZASDGLJUXIVFDL-UHFFFAOYSA-N