Cas no 22061-97-8 (4,5-Thiazoledicarboxylic acid, 2-carbamoyl-, dimethyl ester)
22061-97-8 structure
Product Name:4,5-Thiazoledicarboxylic acid, 2-carbamoyl-, dimethyl ester
CAS No:22061-97-8
MF:C8H8N2O5S
MW:244.224520683289
CID:2657294
Update Time:2023-08-06
4,5-Thiazoledicarboxylic acid, 2-carbamoyl-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
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- DIFLVEGFRMAIJS-UHFFFAOYSA-N
- 2-Carbamoylthiazole-4,5-dicarboxylic acid dimethyl ester
- Dimethyl 2-(aminocarbonyl)-1,3-thiazole-4,5-dicarboxylate #
- 4,5-Thiazoledicarboxylic acid, 2-carbamoyl-, dimethyl ester
-
- Inchi： 1S/C8H8N2O5S/c1-14-7(12)3-4(8(13)15-2)16-6(10-3)5(9)11/h1-2H3,(H2,9,11)
- InChI Key： DIFLVEGFRMAIJS-UHFFFAOYSA-N
- SMILES： S1C(C(N)=O)=NC(C(=O)OC)=C1C(=O)OC
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 322
- Topological Polar Surface Area: 137
4,5-Thiazoledicarboxylic acid, 2-carbamoyl-, dimethyl ester Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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