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4-Hydroxythiobenzamide

4-Hydroxythiobenzamide structure

CAS No:
25984-63-8
Formula:
C7H7NOS
Chemical Name:
4-Hydroxythiobenzamide
Synonyms:
4-Hydroxythiobenzamide;4-hydroxybenzothioamide;4-hydroxy thiobenzamide;4-hydroxybenzenecarbothioamide;4-Hydroxybenzene-1-carbothioamide;BENZENECARBOTHIOAMIDE, 4-HYDROXY-;CHEMBL2441358;MFCD04973332;4-[amino(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one;4-(aminothioxomethyl)phenol
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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4-Hydroxythiobenzamide Basic Attributes

Molecular Weight：

153.202

Exact Mass：

153.024841

UNII：

ZZ8JR2736Y

DSSTox ID：

DTXSID40420703

HScode：

2930909090

Characteristics

PSA：

78.34000

XLogP3：

0.5

Appearance：

Grey white powder

Density：

1.3±0.1 g/cm3

Melting Point：

181-185℃

Boiling Point：

320.4±44.0 °C at 760 mmHg

Flash Point：

147.6±28.4 °C

Refractive Index：

1.702

Vapor Pressure：

0mmHg at 25°C

Safety Information

hazard class code：

R20/21/22

safety instructions：

26-36/37/39

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (13.04%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Hydroxythiobenzamide Use and Manufacturing

febuxostat intermediate

Computed Properties

Molecular Weight:153.20
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:153.02483502
Monoisotopic Mass:153.02483502
Topological Polar Surface Area:78.3
Heavy Atom Count:10
Complexity:130
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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