Ethyl 1,2,3-thiadiazole-4-carboxylate

HCID 254337

Notes Reactions

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Basic information

CAS: 3989-36-4
Standard SMILES: CCOC(=O)c1csnn1
InChIKey: FBUHTNOJXVICFM-UHFFFAOYSA-N
Molecular formula: C5H6N2O2S
Average molar mass: 158.18 g/mol
Monoisotopic mass: 158.01499843

Names & identifiers

Preferred name: Ethyl 1,2,3-thiadiazole-4-carboxylate
IUPAC: ethyl thiadiazole-4-carboxylate
English name: Ethyl 1,2,3-thiadiazole-4-carboxylate
Molecular formula: C5H6N2O2S
Molecular weight: 158.18

Names & synonyms

ethyl 1,2,3-thiadiazole-4-carboxylate3989-36-4DTXSID80291838RefChem:341874DTXCID20242980ethyl thiadiazole-4-carboxylateMFCD000521004-thiadiazolecarboxylic acid ethyl esterRARECHEM AL BI 0508NSC78612Ethyl1,2,3-thiadiazole-4-carboxylateMaybridge1_007257

Show more names

Ethyl 1,2,3-thiadiazole-4-carboxylate ,95%1，2，3-thiodiazole-4-carboxylic acidethyl ester

NCIOpen2_0007911,2,3-Thiadiazole-4-carboxylic acid ethyl esterSCHEMBL3702158TOSLAB 801331HMS562B19BUTTPARK 82\04-75FBUHTNOJXVICFM-UHFFFAOYSA-NNSC 78612

Database identifiers

CAS: 3989-36-4
PubChem CID: 254337
DTXSID: DTXSID80291838
Nikkaji: J2.110.629A

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 80.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 131

Physicochemical properties

Melting point: 80 °C · 80 °C
Boiling point: 231 ℃ · 231℃
Density: 1.32 · 1.320
Flash point: 94 ℃ · 94℃
storage temp.: 2 · 2-8°C
Appearance: Off-white to yellow Solid
CAS DataBase Reference: 3989 · 3989-36-4(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
Safety Statements: 24 · 24/25
HS Code: 29349990 · 29349990

Safety & regulation

Safety data

hs_code: 29349990
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Hazard statements: H302
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications

UsesEthyl 1,2,3-thiadiazole-4-carboxylate is a reagent used in the preparation of 1,2,3-Thiadiazoles that functions as potential antineoplastic agents.