4-Hydroxybenzothioamide

Modify Date: 2025-08-21 18:19:01

4-Hydroxybenzothioamide Structure
4-Hydroxybenzothioamide structure
 Common Name 4-Hydroxybenzothioamide
CAS Number 25984-63-8 Molecular Weight 153.202
Density 1.3±0.1 g/cm3 Boiling Point 320.4±44.0 °C at 760 mmHg
Molecular Formula C7H7NOS Melting Point 192 °C(dec.)
MSDS Chinese USA Flash Point 147.6±28.4 °C

 Names

Name 4-[amino(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 320.4±44.0 °C at 760 mmHg
Melting Point 192 °C(dec.)
Molecular Formula C7H7NOS
Molecular Weight 153.202
Flash Point 147.6±28.4 °C
Exact Mass 153.024841
PSA 78.34000
LogP 1.13
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.702
InChIKey VDTNKXSVUGXUOJ-UHFFFAOYSA-N
SMILES NC(=S)c1ccc(O)cc1

 Safety Information

Hazard Codes Xi
Risk Phrases R20/21/22
Safety Phrases 26-36/37/39
HS Code 2930909090

 Synthetic Route

4-Hydroxybenzonitrile structure

4-Hydroxybenzon...

CAS#:767-00-0

~98%

4-Hydroxybenzothioamide Structure

4-Hydroxybenzot...

CAS#:25984-63-8

Literature: US2005/75503 A1, ; Page/Page column 3 ;
4-Hydroxybenzonitrile structure

4-Hydroxybenzon...

CAS#:767-00-0

Diethyl dithiophosphoric acid structure

Diethyl dithiop...

CAS#:298-06-6

~75%

4-Hydroxybenzothioamide Structure

4-Hydroxybenzot...

CAS#:25984-63-8

Literature: Phosphorus and Sulfur and the Related Elements, , vol. 25, p. 297 - 306
thiocarbamoyl chloride structure

thiocarbamoyl c...

CAS#:16890-86-1

Phenol structure

Phenol

CAS#:108-95-2

~%

4-Hydroxybenzothioamide Structure

4-Hydroxybenzot...

CAS#:25984-63-8

Literature: Helvetica Chimica Acta, , vol. 16, p. 1003 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, , vol. 196, p. 1031

 Customs

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 4-HydroxybenzothioamideBioassay

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Name: Inhibition of the Burkholderia mallei acyl-homoserine lactone synthase BmaI1
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: autoinducer synthetase family protein [Burkholderia mallei ATCC 23344]
External Id: HMS1126
Name: Inhibition of noradrenaline-induced vasoconstriction in Wistar rat endothelium-denude...
Source: ChEMBL
Target: Aorta
External Id: CHEMBL2444680
Name: Induction of H2S release in PBS buffer 10x at pH 7.4 assessed as maximal concentratio...
Source: ChEMBL
Target: N/A
External Id: CHEMBL2444678
Name: Induction of H2S release in PBS buffer 10x at pH 7.4 assessed as maximal concentratio...
Source: ChEMBL
Target: N/A
External Id: CHEMBL2444677
Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
Name: Induction of H2S release in Tyrode buffer in presence of Wistar rat endothelium-denud...
Source: ChEMBL
Target: N/A
External Id: CHEMBL2444672
Name: Activation of KATP channel in HASMC assessed as membrane hyperpolarization at 1 mM us...
Source: ChEMBL
Target: N/A
External Id: CHEMBL2444395
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
Name: Activation of KATP channel in HASMC assessed as membrane hyperpolarization using DiBa...
Source: ChEMBL
Target: N/A
External Id: CHEMBL2444394
Name: Vasorelaxant activity in Sprague-Dawley rat aortic rings assessed as reduction in nor...
Source: ChEMBL
Target: Aortic ring
External Id: CHEMBL5147990
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 Synonyms

4-(aminothioxomethyl)phenol
BENZENECARBOTHIOAMIDE,4-HYDROXY
p-hydroxybenzothiomide
4-HydroxythiobenzaMide
MFCD04973332
4-Hydroxybenzothioamide
4-Hydroxybenzenecarbothioamide
4-Hydroxybenzene-1-carbothioamide
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