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Thionicotinamide

Thionicotinamide structure

CAS No:
4621-66-3
Formula:
C6H6N2S
Chemical Name:
Thionicotinamide
Synonyms:
3-Pyridinecarbothioamide;Nicotinamide,thio-;Thionicotinamide;3-Thioamidopyridine;Nicotinothioamide;3-Pyridinethiocarboxamide;Thio-3-pyridinecarboxamide;3-Thiocarbamoylpyridine;3-Pyridylthioformamide;SR 4336;Nicotinic acid thioamide;NSC 18336;3-(Aminothiocarbonyl)pyridine
Categories:
Active Pharmaceutical Ingredients > Vitamins and Minerals Medicines

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Description

yellow powder

Thionicotinamide Basic Attributes

Molecular Weight：

138.188

Exact Mass：

138.19

EC Number：

225-036-6

UNII：

6A0HXX0753

NSC Number：

18336

DSSTox ID：

DTXSID9063536

HScode：

2933399090

Characteristics

PSA：

XLogP3：

0.67

Appearance：

yellow powder

Density：

1.3±0.1 g/cm3

Melting Point：

180-181 °C @ Solvent: Ethanol

Boiling Point：

278.9±32.0 °C at 760 mmHg

Flash Point：

122.5±25.1 °C

Refractive Index：

1.664

Safety Information

hazard class code：

R22

safety instructions：

S24/25-S36-S26

RTECS Number：

QS4488000

Marks：

Xn: Harmful;

Precautionary statement(s)：

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

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

thionicotinamide

Thionicotinamide Use and Manufacturing

Manufacturing Info：

3-Pyridinecarbothioamide: INACTIVE

Computed Properties

Molecular Weight:138.19
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:138.02516937
Monoisotopic Mass:138.02516937
Topological Polar Surface Area:71
Heavy Atom Count:9
Complexity:114
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 4621-66-3

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CAS No.: 4621-66-3

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