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39479-63-5

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Basic Information
CAS No.: 39479-63-5
Name: 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium dodecyl sulfate
Molecular Structure:
Molecular Structure of 39479-63-5 (3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium dodecyl sulfate)
Formula: C12H26O4S.C12H25O4S.C12H17N4OS
Molecular Weight: 797.14
Synonyms: Thiazolium,3-[(4-amino-2-methyl-5- pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4- methyl-,dodecyl sulfate (salt),mono(dodecyl sulfate) (salt);
EINECS: 1533716-785-6
Melting Point: 150-160 °C
PSA: 250.94000
LogP: 10.46130
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Specification

The Thiamine dilauryl sulfate, with the CAS registry number 39479-63-5, is also known as Vitamin B1 lauryl sulfate. This chemical's molecular formula is C12H26O4S.C12H25O4S.C12H17N4OS and molecular weight is 797.14. Its systematic name is called 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethanol; didodecyl sulfate; chloride.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCCCCCCOS(=O)(=O)OCCCCCCCCCCCC.Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO.[Cl-]
(2)InChI: InChI=1/C24H50O4S.C12H17N4OS.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-27-29(25,26)28-24-22-20-18-16-14-12-10-8-6-4-2;1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;/h3-24H2,1-2H3;5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);1H/q;+1;/p-1
(3)InChIKey: RAOYZRBXPCFUCG-REWHXWOFAQ