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5-Amino-1,3,4-thiadiazole-2-thiol

5-Amino-1,3,4-thiadiazole-2-thiol structure

CAS No:
2349-67-9
Formula:
C2H3N3S2
Chemical Name:
5-Amino-1,3,4-thiadiazole-2-thiol
Synonyms:
ACETYLAMINE(2-)-5-MERCAPTO-1,3,4-THIADAZOLE;1,3,4-Thiadiazole-2(3H)-thione, 5-amino-;1,3,4-Thiadiazole-2-thiol, 5-amino-;5-Amino-2-mercapto-1,3,4-thiadiazole;5-Amino-2-thiol-1,3,4-thiadiazole;5-Amino-3H-[1,3,4]thiadiazole-2-thione;delta2-1,3,4-Thiadiazoline-2-thiol, 5-imino-;NSC 21402
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

White or pale yellow to cream powder

ATT has been investigated in Pulmonary Tuberculosis.

5-Amino-1,3,4-thiadiazole-2-thiol Basic Attributes

Molecular Weight：

133.2

Exact Mass：

133.20

BRN：

81728

EC Number：

219-078-4

UNII：

B1HEG7V21S

NSC Number：

209061|21402

TSCA：

TSCA listed

DSSTox ID：

DTXSID1051486

Color/Form：

White or pale yellow to cream

HScode：

29349990

Characteristics

PSA：

108

XLogP3：

0.3

Appearance：

White or pale yellow to cream Powder

Density：

1.503 (estimate)

Melting Point：

235 °C (dec.)(lit.)

Boiling Point：

242.3±23.0 °C(Predicted)

Flash Point：

100.3±22.6 °C

Refractive Index：

1.5800 (estimate)

Water Solubility：

insoluble

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.0342mmHg at 25°C

Toxicity：

Peritoneal-mouse LD50: 250 mg/kg

Flammability characteristics：

Flammable; burning produces toxic nitrogen oxides and sulfur oxide fumes

PH：

3.9 (2g/l, H2O, 20℃)

PKA：

7.80±0.20(Predicted)

Critical Temperature & Pressure：

Keep in dark place,Sealed in dry,Room Temperature

Safety Information

wgk germany：

hazard class code：

Xi,Xn

safety instructions：

26-36-36/37

RTECS Number：

XI4550000

Marks：

Xi,Xn

Storage features：

Warehouse ventilated, low temperature and dry

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

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：

36/37/38-22-20/21/22

GHS Classification：

|Warning|H302 (88.37%): 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 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

highly toxic

Drug Information

MeSH Entry Terms：

2-amino-5-mercapto-1,3,4-thiadiazole

5-Amino-1,3,4-thiadiazole-2-thiol Use and Manufacturing

Methods of Manufacturing

The preparation method is to add a small amount of hydrochloric acid and a small amount of catalyst in the reaction kettle, then add an appropriate amount of solvent, and then add dithiourea with stirring, heat to 105°C under reflux, complete the reaction, stir and cool, filter, wash, and filter to Dry, dry finished products.

Uses

5-Amino-1,3,4-thiadiazole-2-thiol is a thiadiazole derivative with antibacterial acitivity used in the preparation of herbicides as well as carbonic anhydrase inhibitors.

5-amino-1,3,4-thiadiazole-2-thiol was used to prepare new amines exhibiting anti-convulsant activity.

Manufacturing Info：

1,3,4-Thiadiazole-2(3H)-thione, 5-amino-: ACTIVE

Computed Properties

Molecular Weight:133.20
XLogP3:0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:132.97683946
Monoisotopic Mass:132.97683946
Topological Polar Surface Area:108
Heavy Atom Count:7
Complexity:129
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Calcium phosphate dibasic

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Guide of 5-Amino-1,3,4-thiadiazole-2-thiol

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
Latest News
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5-Amino-1,3,4-thiadiazole-2-thiol

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