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93185-31-0

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Basic Information
CAS No.: 93185-31-0
Name: 5-(HYDROXYMETHYL)-2-THIOURACIL
Molecular Structure:
Molecular Structure of 93185-31-0 (5-(HYDROXYMETHYL)-2-THIOURACIL)
Formula: C5H6N2O2S
Molecular Weight: 158.181
Synonyms: 5-(Hydroxymethyl)-2-thiouracil 98%;5-(hydroxymethyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one;
Density: 1.55 g/cm3
Hazard Symbols: IrritantXi
PSA: 100.97000
LogP: -0.07520
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Specification

The 4(1H)-Pyrimidinone,2,3-dihydro-5-(hydroxymethyl)-2-thioxo-, with the CAS registry number 93185-31-0, is also known as 5-(Hydroxymethyl)-2-thiouracil 98%. This chemical's molecular formula is C5H6N2O2S and molecular weight is 158.1783. Its systematic name is called 5-(hydroxymethyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of 4(1H)-Pyrimidinone,2,3-dihydro-5-(hydroxymethyl)-2-thioxo-: (1)ACD/LogP: -0.07; (2)ACD/LogD (pH 5.5): -0.07; (3)ACD/LogD (pH 7.4): -0.18; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 21.77; (7)ACD/KOC (pH 7.4): 16.93; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.691; (12)Molar Refractivity: 38.89 cm3; (13)Molar Volume: 101.6 cm3; (14)Surface Tension: 86.3 dyne/cm; (15)Density: 1.55 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1\C(=C/NC(=S)N1)CO
(2)InChI: InChI=1/C5H6N2O2S/c8-2-3-1-6-5(10)7-4(3)9/h1,8H,2H2,(H2,6,7,9,10)
(3)InChIKey: ANMAXDCIDVNRHA-UHFFFAOYAH