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3,5-BIS(CYANOMETHYLTHIO)-1,2,4-THIADIAZOLE

3,5-BIS(CYANOMETHYLTHIO)-1,2,4-THIADIAZOLE structure

CAS No:
332110-36-8
Formula:
C6H4N4S3
Chemical Name:
3,5-BIS(CYANOMETHYLTHIO)-1,2,4-THIADIAZOLE
Synonyms:
3,5-Bis(cyanomethylthio)-1,2,4-thiadiazole;Maybridge3_000966;CTK4H0187;DTXSID30384446;HMS1433L20;ZINC4008980;CCG-53493;STL255985;2-[[5-(cyanomethylsulfanyl)-1,2,4-thiadiazol-3-yl]sulfanyl]acetonitrile;AKOS022133789

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3,5-BIS(CYANOMETHYLTHIO)-1,2,4-THIADIAZOLE Basic Attributes

Molecular Weight：

228.32

Exact Mass：

227.96000

DSSTox ID：

DTXSID30384446

HScode：

2934999090

Characteristics

PSA：

152

XLogP3：

1.76946

Density：

1.55g/cm3

Boiling Point：

464.7ºC at 760 mmHg

Flash Point：

234.8ºC

Refractive Index：

1.67

Safety Information

Precautionary statement(s)：

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

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+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.

Computed Properties

Molecular Weight:228.3
XLogP3:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:227.95980967
Monoisotopic Mass:227.95980967
Topological Polar Surface Area:152
Heavy Atom Count:13
Complexity:251
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,5-BIS(CYANOMETHYLTHIO)-1,2,4-THIADIAZOLE

Basic Attributes
Characteristics
Safety Information
Computed Properties

3,5-BIS(CYANOMETHYLTHIO)-1,2,4-THIADIAZOLE

SDS

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