CAS
4099-85-8 Purity
98%
4099-85-8 Purity
98%
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1,2,3-Thiadiazole-4-carboxylic acid
CAS
4100-13-4
Catalog Number
ACM4100134
Category
Other Products
Molecular Weight
130.13
Molecular Formula
C3H2N2O2S
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Specification
Synonyms
NSC521674, CID351418, 1,2,3-thiadiazole-4-carboxylic acid, 9L-544S, AE-842/30373016, 4100-13-4
IUPAC Name
thiadiazole-4-carboxylic acid
Canonical SMILES
C1=C(N=NS1)C(=O)O
InChI Key
HJZYBDPHAHGHAZ-UHFFFAOYSA-N
Boiling Point
322.3ºC at 760 mmHg
Melting Point
227-228ºC
Flash Point
148.7ºC
Density
1.67 g/cm³
Appearance
yellow solid.
Exact Mass
129.98400
Hazard Statements
Xi:Irritant;
H-Bond Acceptor
4
H-Bond Donor
1
Safety Description
S26-S37/39
Upstream Synthesis Route 1
- 58792-16-8
- 4100-13-4
Reference: [1]Journal of the American Chemical Society,1955,vol. 77,p. 5359,5363
Upstream Synthesis Route 2
- 58792-16-8
- 4100-13-4
- 58792-17-9
Reference: [1]Journal of the American Chemical Society,1955,vol. 77,p. 5359,5363
Downstream Synthesis Route 1
- 4100-13-4
- 4100-17-8
Reference: [1]Journal of Agricultural and Food Chemistry,2005,vol. 53,p. 3872 - 3876
[2]Patent: US2827457,1957,
[3]Journal of the Chemical Society,1965,p. 5166 - 5176
[4]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 2929 - 2932
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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