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Name	Benzenecarbothioamide,2-hydroxy-	EINECS	N/A
CAS No.	7133-90-6	Density	1.339 g/cm³
PSA	78.34000	LogP	1.72670
Solubility	N/A	Melting Point	119 °C
Formula	C₇H₇NOS	Boiling Point	300.009 °C at 760 mmHg
Molecular Weight	153.205	Flash Point	135.241 °C
Transport Information	N/A	Appearance	N/A
Safety	26-36/37/39	Risk Codes	36/37/38
Molecular Structure		Hazard Symbols	N/A
Synonyms	Salicylamide,thio- (6CI,7CI,8CI);2-Hydroxybenzothiamide;2-Hydroxythiobenzamide;Salicylthioamide;Thiosalicylamide;2-hydroxybenzenecarbothioamide;Benzenecarbothioamide, 2-hydroxy-;2-(aminothioxomethyl)phenol;	Article Data	21

Benzenecarbothioamide,2-hydroxy- Synthetic route

: 611-20-1
salicylonitrile

: 7133-90-6
2-hydroxythiobenzamide

Conditions

Conditions	Yield
With O,S-diethyl-dithiophosphoric acid In water at 80℃; for 6h;	80%
With O,O-Diethyl hydrogen phosphorodithioate In methanol at 80℃; for 12h;	55%
With hydrogen sulfide; triethylamine In pyridine

: 611-20-1
salicylonitrile

: 298-06-6
O,O-Diethyl hydrogen phosphorodithioate

: 7133-90-6
2-hydroxythiobenzamide

Conditions

Conditions	Yield
In water at 80℃; for 6h;	80%

(EtO)2 P(S)SH: (EtO)2 P(S)SH

: 873-62-1
m-cyanophenol

: 7133-90-6
2-hydroxythiobenzamide

Conditions

Conditions	Yield
In water	57%

: 611-20-1
salicylonitrile

aq. NaCl: aq. NaCl

(EtO)2 P(S)SH: (EtO)2 P(S)SH

: 75-09-2
dichloromethane

: 7133-90-6
2-hydroxythiobenzamide

Conditions

Conditions	Yield
With sodium hydrogencarbonate In water	55%

: 65-45-2
salicylamide

: 7133-90-6
2-hydroxythiobenzamide

Conditions

Conditions	Yield
With Lawessons reagent In tetrahydrofuran at 55℃; for 4h; Inert atmosphere;	50%
With Lawessons reagent In tetrahydrofuran	29%
With tetraphosphorus decasulfide

: 107-15-3
ethylenediamine

: 63963-47-3
6,6'-(1,2,4-Dithiazolidin-3,5-yliden)-bis-2,4-cyclohexadien-1-on

A: 1565-39-5
2-(2-imidazolinyl)phenol

B: 7133-90-6
2-hydroxythiobenzamide

Conditions

Conditions	Yield
Yields of byproduct given;	A n/a B 15%
Yield given. Yields of byproduct given;
Mechanism;

: 79576-70-8
2-(2-Hydroxyphenyl)-1,3-benzoxazin-4-thion

: 107-15-3
ethylenediamine

A: 1565-39-5
2-(2-imidazolinyl)phenol

B: 7133-90-6
2-hydroxythiobenzamide

Conditions

Conditions	Yield
Yield given;

: 63963-47-3
6,6'-(1,2,4-Dithiazolidin-3,5-yliden)-bis-2,4-cyclohexadien-1-on

: 7133-90-6
2-hydroxythiobenzamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: various solvent(s) / 180 °C View Scheme

: 118-61-6
2-hydroxy-benzoic acid ethyl ester

: 7133-90-6
2-hydroxythiobenzamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: alcohol; ammonia / 100 °C 2: P2S5 View Scheme

: 119-36-8
methyl salicylate

: 7133-90-6
2-hydroxythiobenzamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: alcohol; ammonia / 100 °C 2: P2S5 View Scheme

Benzenecarbothioamide,2-hydroxy- Specification

The Benzenecarbothioamide,2-hydroxy-, with the CAS registry number 7133-90-6, has the systematic name of 2-hydroxybenzenecarbothioamide. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₇H₇NOS.

The characteristics of Benzenecarbothioamide,2-hydroxy- are as followings: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 13; (6)ACD/BCF (pH 7.4): 12; (7)ACD/KOC (pH 5.5): 215; (8)ACD/KOC (pH 7.4): 198; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 78.34 Å²; (13)Index of Refraction: 1.702; (14)Molar Refractivity: 44.325 cm³; (15)Molar Volume: 114.433 cm³; (16)Polarizability: 17.572×10^-24cm³; (17)Surface Tension: 76.294 dyne/cm; (18)Density: 1.339 g/cm³; (19)Flash Point: 135.241 °C; (20)Enthalpy of Vaporization: 56.164 kJ/mol; (21)Boiling Point: 300.009 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

Preparation of Benzenecarbothioamide,2-hydroxy-: This chemical can be prepared by dithiophosphoric acid O,O'-diethyl ester and 2-hydroxy-benzonitrile. The reaction will need reagent H₂O. The reaction time is 6 hours with temperature of 80°C, and the yield is about 80%.

Uses of Benzenecarbothioamide,2-hydroxy-: It can react with 2-bromo-1-(5-nitro-furan-2-yl)-ethanone to produce 2-[4-(5-nitro-furan-2-yl)-thiazol-2-yl]-phenol. This reaction will need menstruum ethanol. And the yield is about 85%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: S=C(N)c1ccccc1O
(2)InChI: InChI=1/C7H7NOS/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10)
(3)InChIKey: JFYIBFCXQUDFQE-UHFFFAOYAI

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	500mg/kg (500mg/kg)		Therapie. Vol. 8, Pg. 237, 1953.

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