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1,2,3-Thiadiazol-5-amine

1,2,3-Thiadiazol-5-amine structure

CAS No:
4100-41-8
Formula:
C2H3N3S
Chemical Name:
1,2,3-Thiadiazol-5-amine
Synonyms:
1,2,3-Thiadiazol-5-amine;1,2,3-Thiadiazole,5-amino-;5-Amino-1,2,3-thiadiazole;NSC 267217;(1,2,3-Thiadiazol-5-yl)amine
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

white to light yellow crystal powde

1,2,3-Thiadiazol-5-amine Basic Attributes

Molecular Weight：

101.13

Exact Mass：

101.13

EC Number：

223-868-4

NSC Number：

267217

DSSTox ID：

DTXSID70193998

HScode：

2934999090

Characteristics

PSA：

XLogP3：

0.1

Appearance：

Yellow or amber crystallization

Density：

1.5±0.1 g/cm3

Melting Point：

224-235°C (dec.)

Boiling Point：

239.8ºC at 760 mmHg

Flash Point：

98.9±25.1 °C

Refractive Index：

1.663

Safety Information

Precautionary statement(s)：

P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P501

Hazard Statements：

H302

GHS Classification：

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

1,2,3-Thiadiazol-5-amine Use and Manufacturing

Methods of Manufacturing

The preparation method is that aminoacetonitrile, acetic acid and sodium nitrite undergo a diazotization reaction to obtain diazoacetonitrile, and hydrogen sulfide is passed into a diazoacetonitrile and triethylamine dichloromethane solution to obtain the product. Diazoacetonitrile solution is very unstable and easy to explode, so pay special attention. It can also be used to react with chloroacetaldehyde and ethyl carbazate to obtain ClCH2CN=NNHCOOC2H5, and then further react with thionyl chloride to cyclize to obtain 5-chloro-1, 2, 3-thiadiazole, and then in dimethylformamide solvent The product is obtained by reacting 5-chloro-1, 2, 3-thiadiazole with ammonia gas.

Uses

Pharmaceutical intermediates.

Computed Properties

Molecular Weight:101.13
XLogP3:0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:101.00476828
Monoisotopic Mass:101.00476828
Topological Polar Surface Area:80
Heavy Atom Count:6
Complexity:48.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Dimethylformamide

Sodium nitrite

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