1,3,4-thiadiazole

CAT: 1596-AR-C02091-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C02091-01Size:10 Units

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CAS Number

289-06-5

Synonyms

1,3,4-thiadiazole; 4-thiadiazole

Molecular Formula

C2H2N2S

Molecular Weight

86.11

API Name

Ceftezole

Chemical Information

1,3,4-Thiadiazole

1,3,4-thiadiazole is a thiadiazole.

CAS Number	289-06-5
PubChem CID	119391
IUPAC Name	1,3,4-thiadiazole
Molecular Formula	C2H2N2S
Molecular Weight	86.12
XLogP	0.4
Topological Polar Surface Area	54
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	5
Formal Charge	0
Complexity	26

SMILES

C1=NN=CS1

InChI

InChI=1S/C2H2N2S/c1-3-4-2-5-1/h1-2H

InChIKey

MBIZXFATKUQOOA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 289-06-5

CID: 119391

Formula: C2H2N2S

MW: 86.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	86.12
XLogP3	0.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	85.99386925
Monoisotopic Mass	85.99386925
Topological Polar Surface Area	54 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	26.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-N08348-01	3',4'-dihydroxy[1,1'-Binaphthalene]-3,4-dione
AR-D01133-01	4,4'-dichloro-3,3'-bis (4-ethoxybenzyl) -1,1'-biphenyl
AR-S01311-01	4- (3,4-dichlorophenyl) -1,2,3,4-tetrahydronaphthalen-1-ol
AR-C03799-01	Cyclopentylamine-1,3,3,4,4-d5
AR-P31761-01	1-[2- (2-chlorophenyl) ethyl]-4-[3- (4-chlorophenyl) -1,2,4-thiadiazol-5-yl]-Piperazine
AR-C05179-01	1- (4-Methylphenyl) -4,4,4- trifluorobutane-1,3-dione
AR-T02813-01	1- (3-Chlorophenyl) -4- (3-chloropropyl) -1,2,3,4-tetrahydropyrazine
AR-T03434-01	4- (4-Morpholinyl) -1,2,5-Thiadiazol-3 (2H) -one 1-Oxide Potassium Salt
AR-P31762-01	1-[2- (2-chlorophenyl) ethyl]-4-[3- (4-chlorophenyl) -1,2,4-thiadiazol-5-yl]-Piperazine-d8
AR-N08346-01	[1,2'-Binaphthalene]-1',3,4,4'-tetrone