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5-(Thiophen-2-yl)-1,3,4-oxadiazol-2(3H)-one

HCID 7130867
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Basic information

CAS
128772-83-8
Standard SMILES
O=c1[nH]nc(-c2cccs2)o1
InChIKey
CDCGUELILIFLTA-UHFFFAOYSA-N
Molecular formula
C6H4N2O2S
Average molar mass
168.18 g/mol
Monoisotopic mass
167.99934855

Names & identifiers

Preferred name
5-(Thiophen-2-yl)-1,3,4-oxadiazol-2(3H)-one
IUPAC
5-thiophen-2-yl-3H-1,3,4-oxadiazol-2-one
English name
5-THIEN-2-YL-1,3,4-OXADIAZOL-2(3H)-ONE
Molecular formula
C6H4N2O2S
Molecular weight
168.17

Names & synonyms

128772-83-85-(Thiophen-2-yl)-1,3,4-oxadiazol-2(3H)-oneDTXSID00427874RefChem:300693DTXCID703787085-thien-2-yl-1,3,4-oxadiazol-2(3H)-one5-(thiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazol-2-one5-thiophen-2-yl-3H-1,3,4-oxadiazol-2-one1,3,4-Oxadiazol-2(3H)-one, 5-(2-thienyl)-HMS1776G16SCHEMBL26616422DFA77283
Show more names
5-(2-Thienyl)-1,3,4-oxadiazol-2(3H)-one
AKOS008053817NCGC00665417-01DB-350083CS-02346595-(2-thienyl)-3H-1,3,4-oxadiazol-2-oneEN300-14529G33560Z104341540

Database identifiers

CAS
128772-83-8
PubChem CID
7130867
DTXSID
DTXSID00427874

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
78.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
11
Formal charge
0
Complexity
217

Chemistry & industry

Suppliers4 total

郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]

Related reactions

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Compound notes

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