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103404-75-7

Basic Information
CAS No.: 103404-75-7
Name: 4-Thiazolecarboxylicacid, 4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-, sodium salt (1:1), (4S)-
Molecular Structure:
Molecular Structure of 103404-75-7 (4-Thiazolecarboxylicacid, 4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-, sodium salt (1:1), (4S)-)
Formula: C11H7N2NaO3S2
Molecular Weight: 302.30
Synonyms: 4-Thiazolecarboxylicacid, 4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-, monosodium salt, (4S)-(9CI);4-Thiazolecarboxylic acid, 4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-,monosodium salt, (S)-;
EINECS: 600-430-4
Density: N/A
Melting Point: N/A
Boiling Point: 473.7°C at 760 mmHg
Flash Point: 240.3°C
Solubility: soluble in water
Appearance: Yellow powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 22-24/25-36/37/39-26
Transport Information: N/A
PSA: 139.15000
LogP: 0.04940
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  • Sodium (S)-2-(6-hydroxybenzo[d]thiazol-2-yl)-4,5-dihydrothiazole-4-carboxylate

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Specification

The D-Luciferin sodium salt, with CAS registry number 103404-75-7, has the systematic name of sodium (4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate. This chemical is a kind of yellow powder. And this chemical should be stored at the temperature of −20°C.

Physical properties of D-Luciferin sodium salt: (1)#H bond acceptors: 5; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 139.15 Å2

When you are using this chemical, please be cautious about it as the following:
The Trimesic acid irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. Please do not breathe dust and avoid contact with skin and eyes. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].O=C([O-])[C@@H]1/N=C(\SC1)c2sc3cc(O)ccc3n2
(2)InChI: InChI=1/C11H8N2O3S2.Na/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)InChIKey: LILQLBIQROYWIA-OARLJDCRBM
(4)Std. InChI: InChI=1S/C11H8N2O3S2.Na/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
(5)Std. InChIKey: LILQLBIQROYWIA-OGFXRTJISA-M