Basic information
- CAS
859536-45-1- Standard SMILES
Cc1nsc(C(=O)O)n1- InChIKey
XXFNWMYNGDPHGX-UHFFFAOYSA-N- Molecular formula
- C4H4N2O2S
- Average molar mass
- 144.15 g/mol
Names & identifiers
- Preferred name
- 3-Methyl-1,2,4-thiadiazole-5-carboxylic acid
- IUPAC
- 3-methyl-1,2,4-thiadiazole-5-carboxylic acid
- English name
- 3-Methyl-[1,2,4]thiadiazole-5-carboxylic acid
- Molecular formula
- C4H4N2O2S
- Molecular weight
- 144.15
Names & synonyms
3-Methyl-1,2,4-thiadiazole-5-carboxylic acid859536-45-1ZYG4QUR473SCHEMBL1656333DB-2181263-Methyl-1,2,4-thiadiazole-5-carboxylicacidEN300-120411G898261,2,4-Thiadiazole-5-carboxylic acid, 3-methyl-F9230801,2,4-Thiadiazole-5-carboxylic acid-,3-methyl3-Methyl-[1,2,4]thiadiazole-5-carboxylic acid
Database identifiers
- CAS
859536-45-1- UNII
- ZYG4QUR473
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Boiling point
- 344.2 · 344.2±25.0 °C(Predicted)
- Density
- 1.53 · 1.530±0.06 g/cm3(Predicted)
- pka
- 2.16 · 2.16±0.10(Predicted)
Chemistry & industry
Suppliers21 total
武汉卓元易创科技有限公司13476791851 13476791851 · [email protected]
苏州合森医药科技有限公司17621975170; 17621975170 · [email protected]
上海宣月科技有限公司15216675652 · [email protected]
上海瑞诗化工有限公司86-021-54933292 · [email protected]
济宁横渠生物技术有限公司18118824509 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
成都诺维尔生物医药有限公司028-85255396 18302801538 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
济南尚博医药股份有限公司0531-61320525 15866703830 · [email protected]
上海腾渤医药科技有限公司021-54338626 18017892860 · [email protected]
上海腾彤化工科技有限公司17602173738 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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