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3989-36-4 | Ethyl 1,2,3-thiadiazole-4-carboxylate
CAS No: 3989-36-4 Catalog No: AG003Q07 MDL No:MFCD00052100
Product Description
Catalog Number:
AG003Q07
Chemical Name:
Ethyl 1,2,3-thiadiazole-4-carboxylate
CAS Number:
3989-36-4
Molecular Formula:
C5H6N2O2S
Molecular Weight:
158.1783
MDL Number:
MFCD00052100
IUPAC Name:
ethyl thiadiazole-4-carboxylate
InChI:
InChI=1S/C5H6N2O2S/c1-2-9-5(8)4-3-10-7-6-4/h3H,2H2,1H3
InChI Key:
FBUHTNOJXVICFM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1csnn1
NSC Number:
78612
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.015g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.175g/mol
Monoisotopic Mass:
158.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Attempted reduction of 1,2,3-thiadiazole-4-carboxylates with samarium/iodine in methanol. Unexpected ring enlargement to 1,2,5-trithiepan-4,6-dicarboxylates. | Organic & biomolecular chemistry 20041007 |
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