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1,3,4-Thiadiazol-2-amine

1,3,4-Thiadiazol-2-amine structure

CAS No:
4005-51-0
Formula:
C2H3N3S
Chemical Name:
1,3,4-Thiadiazol-2-amine
Synonyms:
1,3,4-Thiadiazol-2-amine;1,3,4-Thiadiazole,2-amino-;2-Amino-1,3,4-thiadiazole;Aminothiadiazole;NSC 4728;TF 128;2-Aminothiadiazole;1,3,4-Thiadiazole-2-amine;5-Amino-1,3,4-thiadiazole;1,3,4-Thiadiazol-2-ylamine;2-Amine-1,3,4-thiadiazole;37184-61-5
Categories:
Chemical Reagents > Organic Reagents

Description

white to light yellow crystal powde

Aminothiadiazole is a synthetic derivative of nicotinamide adenine dinucleotide (NAD). Aminothiadiazole competitively inhibits inosine 5-monophosphate dehydrogenase, thereby disrupting the regulation of cell proliferation and differentiation in a number of cells. This agent is also a selective human adenosine A3 receptor antagonist. (NCI04)

1,3,4-Thiadiazol-2-amine Basic Attributes

Molecular Weight：

101.13

Exact Mass：

101.13

BRN：

107135

EC Number：

223-657-7

UNII：

6L41AOK74P

NSC Number：

4728

DSSTox ID：

DTXSID50193113

NCI Thesaurus Code：

C1335

HScode：

29349990

Characteristics

PSA：

XLogP3：

-0.6

Appearance：

White to light yellow Crystals or Crystalline Powder

Density：

1.385 (estimate)

Melting Point：

190-192 °C

Boiling Point：

238.9°C at 760 mmHg

Flash Point：

98.3ºC

Water Solubility：

It is soluble in water, hot methanol- very faint turbidity.

Storage Conditions：

Refrigerator

Toxicity：

Peritoneal-rat LD50: 200 mg/kg; peritoneal-mouse LD50: 6500 mg/kg

Flammability characteristics：

Flammable; burning produces toxic nitrogen oxides and sulfur oxide fumes

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2811

wgk germany：

hazard class code：

68-63-36/37/38-20/21/22-22

safety instructions：

36/37/39-26-36

RTECS Number：

XI3000000

Marks：

Xn,Xi

Storage features：

Warehouse ventilated, low temperature and dry

Hazard note：

Harmful

Stability/Shelf Life：

Bulk: A sample stored for four weeks at 60 ° C showed no decomposition (UV,TLC). Solution: A solution (10 mg/mL) showed no decomposition after twenty -four hours at room temperature (UV,TLC).

Precautionary statement(s)：

P201, P202, P261, P264, P270, P271, P280, P281, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (10.87%): Toxic if swallowed [Danger Acute toxicity, oral]|P201, P202, P261, P264, P270, P271, P280, P281, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

highly toxic

Drug Information

MeSH：

Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)

MeSH Entry Terms：

2-amino-1,3,4-thiadiazole

1,3,4-Thiadiazol-2-amine Use and Manufacturing

A thiadiazole derivative with fungacidal properties. An antitumor agent.

Computed Properties

Molecular Weight:101.13
XLogP3:-0.6
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

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