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2-[[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile

2-[[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile structure

CAS No:
261781-02-6
Formula:
C6H4N4S3
Chemical Name:
2-[[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile
Synonyms:
CDS1_000342;Maybridge1_002630;MLS001033283;DivK1c_001382;CHEMBL1539420;SCHEMBL13401632;HMS548P12;HMS2758H04;ZINC3157707;AKOS001326853;MCULE-5543194560;SMR000363804;BRD-K79480579-001-08-9;Z19809658;2-({5-[(cyanomethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetonitrile;261781-02-6

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2-[[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile Basic Attributes

Molecular Weight：

228.3 g/mol

Exact Mass：

227.95980967 g/mol

Characteristics

PSA：

152 Å²

Water Solubility：

32.8 [ug/mL]

Computed Properties

Molecular Weight:228.3
XLogP3:1.6
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:225
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile

Basic Attributes
Characteristics
Computed Properties

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