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Bismuthone

Bismuthone structure

CAS No:
6336-51-2
Formula:
C8H6N2S3.K
Chemical Name:
Bismuthone
Synonyms:
1,3,4-Thiadiazolidine-2,5-dithione,3-phenyl-,potassium salt (1:1);Δ2-1,3,4-Thiadiazoline-5-thione,2-mercapto-4-phenyl-,potassium salt;1,3,4-Thiadiazolidine-2,5-dithione,3-phenyl-,potassium salt;Δ2-1,3,4-Thiadiazoline-5-thione,2-mercapto-4-phenyl-,potassium deriv.;5-Mercapto-3-phenyl-Δ4-1,3,4-thiadiazoline-2-thione potassium salt;3-Phenyl-5-mercapto-1,3,4-thiadiazole-2-thione;2-Mercapto-4-phenyl-1,3,4-thiadiazoline-5-thione potassium salt;Potassium 5-mercapto-3-phenyl-1,3,4-thiadiazole-2-thione;5-Mercapto-3-phenyl-1,3,4-thiadiazole-2-thione potassium salt;Potassium 2-mercapto-4-phenyl-1,3,4-thiadiazoline-5-thione;Bismuthone;5-Mercapto-3-phenyl-1,3,4-thiadiazoline-2-thione potassium salt;125719-78-0;158587-29-2
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Bismuthone Basic Attributes

Molecular Weight：

264.44

Exact Mass：

263.92500

EC Number：

228-718-1

HScode：

2934999090

Characteristics

PSA：

103.45000

XLogP3：

3.21970

Appearance：

Powder

Melting Point：

247°C

Boiling Point：

321ºC at 760 mmHg

Flash Point：

148ºC

Water Solubility：

It is soluble in water.

Storage Conditions：

Refrigerator

Safety Information

hazard class code：

20/22-36/37/38

safety instructions：

9-26-36/37

RTECS Number：

XI4815000

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, 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+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

bismuthiol II

Bismuthone Use and Manufacturing

thiadiazole pharmaceutical intermediate

Computed Properties

Molecular Weight:264.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:263.92519317
Monoisotopic Mass:263.92519317
Topological Polar Surface Area:74
Heavy Atom Count:14
Complexity:251
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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