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Benzenecarbothioamide,3-methoxy-

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Name

Benzenecarbothioamide,3-methoxy-

EINECS N/A
CAS No. 64559-06-4 Density 1.194 g/cm3
PSA 67.34000 LogP 2.02970
Solubility N/A Melting Point 93-98 °C
Formula C8H9NOS Boiling Point 298.8 °C at 760 mmHg
Molecular Weight 167.232 Flash Point 134.5 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 64559-06-4 (3-METHOXY-THIOBENZAMIDE) Hazard Symbols Xi
Synonyms

3-Methoxybenzenecarbothioamide;3-Methoxythiobenzamide;Benzenecarbothioamide, 3-methoxy- (9CI);

Article Data 5

Benzenecarbothioamide,3-methoxy- Specification

The CAS register number of Benzenecarbothioamide,3-methoxy- is 64559-06-4. It also can be called as 3-Methoxythiobenzamide and the IUPAC name about this chemical is 3-methoxybenzenecarbothioamide. The molecular formula about this chemical is C8H9NOS and the molecular weight is 167.23. It belongs to the following product category which includes Thioamide.

Physical properties about Benzenecarbothioamide,3-methoxy- are: (1)ACD/LogP: 1.66; (2)ACD/LogD (pH 5.5): 1.66; (3)ACD/LogD (pH 7.4): 1.66; (4)ACD/BCF (pH 5.5): 10.67; (5)ACD/BCF (pH 7.4): 10.67; (6)ACD/KOC (pH 5.5): 189.45; (7)ACD/KOC (pH 7.4): 189.46; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 44.56 Å2; (12)Index of Refraction: 1.619; (13)Molar Refractivity: 49.12 cm3; (14)Molar Volume: 140 cm3; (15)Polarizability: 19.47x10-24cm3; (16)Surface Tension: 54.1 dyne/cm; (17)Density: 1.194 g/cm3; (18)Flash Point: 134.5 °C; (19)Enthalpy of Vaporization: 53.88 kJ/mol; (20)Boiling Point: 298.8 °C at 760 mmHg; (21)Vapour Pressure: 0.00124 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C(c1cc(OC)ccc1)N
(2)InChI: InChI=1/C8H9NOS/c1-10-7-4-2-3-6(5-7)8(9)11/h2-5H,1H3,(H2,9,11)
(3)InChIKey: LQSZSWBMLMGWPC-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C8H9NOS/c1-10-7-4-2-3-6(5-7)8(9)11/h2-5H,1H3,(H2,9,11)
(5)Std. InChIKey: LQSZSWBMLMGWPC-UHFFFAOYSA-N

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