CAS 88124-55-4 Ethyl 2-(5-amino-1,3,4-thiadiazol-2-yl)acetate (HCID 292304)

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Basic information

CAS: 88124-55-4
Standard SMILES: CCOC(=O)Cc1nnc(N)s1
InChIKey: AHRAVYTUHNLCHS-UHFFFAOYSA-N
Molecular formula: C6H9N3O2S
Average molar mass: 187.22 g/mol
Monoisotopic mass: 187.04154753

Names & identifiers

Preferred name: Ethyl 2-(5-amino-1,3,4-thiadiazol-2-yl)acetate
IUPAC: ethyl 2-(5-amino-1,3,4-thiadiazol-2-yl)acetate
English name: ethyl (5-amino-1,3,4-thiadiazol-2-yl)acetate(SALTDATA: FREE)
Molecular formula: C6H9N3O2S
Molecular weight: 187.22

Names & synonyms

ethyl 2-(5-amino-1,3,4-thiadiazol-2-yl)acetateDTXSID80303364RefChem:593905DTXCID10254496873-663-488124-55-4ethyl (5-amino-1,3,4-thiadiazol-2-yl)acetate2-Amino-1,3,4-thiadiazolyl-5-acetic acid ethyl ester1,3,4-thiadiazole-2-acetic acid, 5-amino-, ethyl esterMFCD006206841,3,4-Thiadiazole-2-aceticacid, 5-amino-, ethyl esterNSC158006

Show more names

ethyl (5-amino-1,3,4-thiadiazol-2-yl)acetate(SALTDATA: FREE)

Oprea1_253230Oprea1_837601SCHEMBL282768ALBB-020009SBB002434STK062912AKOS000265947AB06553

Database identifiers

CAS: 88124-55-4
PubChem CID: 292304
DTXSID: DTXSID80303364
EC Number: 873-663-4

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 106 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 167

Physicochemical properties

InChI: InChI=1S/C6H9N3O2S/c1-2-11-5(10)3-4-8-9-6(7)12-4/h2-3H2,1H3,(H2,7,9)
InChIKey: AHRAVYTUHNLCHS-UHFFFAOYSA-N
SMILES: S1C(N)=NN=C1CC(OCC)=O
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H335-H302-H319
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H335-H302-H319
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P