Home Carboxys 1,2,3-Thiadiazole-5-carboxylic acid, 4-methyl-, ethyl ester

1,2,3-Thiadiazole-5-carboxylic acid, 4-methyl-, ethyl ester

CAS No.:
18212-20-9
Catalog Number:
AG0023DO
Molecular Formula:
C6H8N2O2S
Molecular Weight:
172.2049
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Product Description
Catalog Number:
AG0023DO
Chemical Name:
1,2,3-Thiadiazole-5-carboxylic acid, 4-methyl-, ethyl ester
CAS Number:
18212-20-9
Molecular Formula:
C6H8N2O2S
Molecular Weight:
172.2049
MDL Number:
MFCD00052549
IUPAC Name:
ethyl 4-methylthiadiazole-5-carboxylate
InChI:
InChI=1S/C6H8N2O2S/c1-3-10-6(9)5-4(2)7-8-11-5/h3H2,1-2H3
InChI Key:
AHPXTXGCMLOXGA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1snnc1C
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.031g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.202g/mol
Monoisotopic Mass:
172.031g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Early events in the photochemistry of 1,2,3-thiadiazole studied by ultrafast time-resolved UV-vis and IR spectroscopies. The journal of physical chemistry. A 20111222
Properties