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6-Mercaptonicotinic acid

6-Mercaptonicotinic acid structure

CAS No:
17624-07-6
Formula:
C6H5NO2S
Chemical Name:
6-Mercaptonicotinic acid
Synonyms:
3-Pyridinecarboxylic acid,1,6-dihydro-6-thioxo-;Nicotinic acid,6-mercapto-;1,6-Dihydro-6-thioxo-3-pyridinecarboxylic acid;5-Carboxy-2-thiopyridone;6-Mercaptonicotinic acid;5-Carboxy-2-mercaptopyridine;6-Mercapto-3-pyridinecarboxylic acid;2-Mercaptopyridine-5-carboxylic acid;26215-43-0
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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6-Mercaptonicotinic acid Basic Attributes

Molecular Weight：

155.17

Exact Mass：

155.17

EC Number：

241-599-0

DSSTox ID：

DTXSID50170101

HScode：

2933399090

Characteristics

PSA：

81.4

XLogP3：

1.06850

Density：

1.49±0.1 g/cm3(Predicted)

Melting Point：

273-275 °C

Boiling Point：

259.9±50.0 °C(Predicted)

Flash Point：

111ºC

Refractive Index：

1.694

Vapor Pressure：

0.00377mmHg at 25°C

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

Marks：

Precautionary statement(s)：

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

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-mercapto-5-pyridinecarboxylic acid

Computed Properties

Molecular Weight:155.18
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:155.00409958
Monoisotopic Mass:155.00409958
Topological Polar Surface Area:81.4
Heavy Atom Count:10
Complexity:242
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes