Basic information
- Name:
4-Thiazolecarboxylicacid, 4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-, potassium salt (1:1), (4S)-
- Superlist Name:
- D-Luciferin potassium salt
- CAS No.:
115144-35-9
- Molecular Structure:
- Formula:
- C11H7KN2O3S2
- Molecular Weight:
- 318.41
- Synonyms:
- 4-Thiazolecarboxylicacid, 4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-, monopotassium salt, (4S)-(9CI);4-Thiazolecarboxylic acid, 4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-,monopotassium salt, (S)-;(S)-4,5-Dihydro-2-(6-hydroxybenzothiazol-2-yl)thiazole-4-carboxylic acid potassium salt;Potassium (4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate;
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Specification
The 4-Thiazolecarboxylic acid, 4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-, potassium salt (1:1), (4S)-, with the CAS registry number 115144-35-9, is also known as (S)-4,5-Dihydro-2-(6-hydroxybenzothiazol-2-yl)thiazole-4-carboxylic acid potassium salt. This chemical's molecular formula is C11H7KN2O3S2 and molecular weight is 318.41. What's more, its systematic name is potassium (4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate.
Physical properties of 4-Thiazolecarboxylic acid, 4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-, potassium salt (1:1), (4S)- are: (1)#H bond acceptors: 5; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 139.15 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [K+].O=C([O-])[C@@H]1/N=C(\SC1)c2sc3cc(O)ccc3n2
(2)Std. InChI: InChI=1S/C11H8N2O3S2.K/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16;/h1-3,7,14H,4H2,(H,15,16);/q;+1/p-1/t7-;/m1./s1
(3)Std. InChIKey: UMBKGTQQGYPQBE-OGFXRTJISA-M