Basic information
- Name:
4-Hydroxythiobenzamide
- CAS No.:
25984-63-8
- Molecular Structure:
- Formula:
- C7H7NOS
- Molecular Weight:
- 153.20
- Synonyms:
- Benzamide,p-hydroxythio- (8CI);4-Hydroxybenzenecarbothioamide;4-Hydroxybenzenethiocarboxamide;
- Density:
- 1.339 g/cm3
- Boiling Point:
- 320.394 °C at 760 mmHg
- Flash Point:
- 147.57 °C
- Appearance:
- Grey white powder
- Risk Codes:
- 20/21/22-36/37/38
- Safety Description:
- 26-36/37/39 Details
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Chemistry
IUPAC Name: 4-[Amino(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one
Synonyms of 4-Hydroxythiobenzamide (CAS NO.25984-63-8): 4-Hydroxybenzene-1-carbothioamide
CAS NO: 25984-63-8
Molecular Formula: C7H7NOS
Molecular Weight: 153.20
Molecular Structure: 
H bond acceptors: 2
H bond donors: 3
Freely Rotating Bonds: 2
Polar Surface Area: 78.34 Å2
Index of Refraction: 1.702
Molar Refractivity: 44.325 cm3
Molar Volume: 114.433 cm3
Surface Tension: 76.294 dyne/cm
Density: 1.339 g/cm3
Flash Point: 147.57 °C
Enthalpy of Vaporization: 58.443 kJ/mol
Boiling Point: 320.394 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
SMILES: S=C(N)c1ccc(O)cc1
InChI: InChI=1/C7H7NOS/c8-7(10)5-1-3-6(9)4-2-5/h1-4,9H,(H2,8,10)
InChIKey: VDTNKXSVUGXUOJ-UHFFFAOYAV
Std. InChI: InChI=1S/C7H7NOS/c8-7(10)5-1-3-6(9)4-2-5/h1-4,9H,(H2,8,10)
Std. InChIKey: VDTNKXSVUGXUOJ-UHFFFAOYSA-N
Safety Profile
Safety Information about 4-Hydroxythiobenzamide (CAS NO.25984-63-8):
Risk Statements: 20/21/22-36/37/38
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
