5-(1-Phenoxyethyl)-1,3,4-thiadiazol-2-amine

HCID 3135847
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Basic information

CAS
76784-70-8
Standard SMILES
CC(Oc1ccccc1)c1nnc(N)s1
InChIKey
OYNCXTKLAZBINA-UHFFFAOYSA-N
Molecular formula
C10H11N3OS
Average molar mass
221.28 g/mol
Monoisotopic mass
221.06228316

Names & identifiers

Preferred name
5-(1-Phenoxyethyl)-1,3,4-thiadiazol-2-amine
IUPAC
5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-amine
English name
5-(1-Phenoxy-ethyl)-[1,3,4]thiadiazol-2-ylamine
Molecular formula
C10H11N3OS
Molecular weight
221.28

Names & synonyms

5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-amine76784-70-85-(1-Phenoxy-ethyl)-[1,3,4]thiadiazol-2-yl-amineBAS 01917207Oprea1_139285Oprea1_648118MLS000856308SCHEMBL3910411CHEMBL1721637OYNCXTKLAZBINA-UHFFFAOYSA-NDTXSID801327994HMS1677O12
Show more names
1,3,4-Thiadiazol-2-amine, 5-(1-phenoxyethyl)-5-(1-Phenoxy-ethyl)-[1,3,4]thiadiazol-2-ylamine
HMS2671B07STK385016AKOS003588053AKOS022064166WAY-301442SMR000279253ST0663425-(phenoxyethyl)-1,3,4-thiadiazole-2-ylamine

Database identifiers

CAS
76784-70-8
PubChem CID
3135847
DTXSID
DTXSID801327994
ChEMBL
CHEMBL1721637

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
89.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
15

Experimental & physicochemical properties

Solubility26 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Boiling point
406.7 · 406.7±47.0 °C(Predicted)
Density
1.304 · 1.304±0.06 g/cm3(Predicted)
pka
2.89 · 2.89±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335

Safety & regulation

Safety data

risk_code
22
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi,Xn
hazard_class
IRRITANT
Hazard statements
H302-H315-H319-H335

Chemistry & industry

Suppliers8 total

Fluorochem Ltd[email protected]
FLRO-SR[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
ASINEX-REAG[email protected]

Related reactions

1 records
New reaction record

Compound notes

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