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30161-95-6

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Basic Information
CAS No.: 30161-95-6
Name: 5-AMINO-2-CHLORO-2,3-DIHYDROTHIAZOLO[4,5-D]PYRIMIDINE-7-(6H)-ONE
Molecular Structure:
Molecular Structure of 30161-95-6 (5-AMINO-2-CHLORO-2,3-DIHYDROTHIAZOLO[4,5-D]PYRIMIDINE-7-(6H)-ONE)
Formula: C5H5ClN5OS
Molecular Weight: 202.624
Synonyms: 5-Amino-2-chlorothiazolo[4,5-d]pyrimidin-7(4H)-one;5-AMino-2-chloro-thiazolo[4,5-d]pyriMidin-7(6H)-one;Thiazolo[4,5-d]pyriMidin-7(6H)-one, 5-aMino-2-chloro-;5-AMINO-2-CHLORO-2,3-DIHYDROTHIAZOLO[4,5-D]PYRIMIDINE-7-(6H)-ONE
Density: 2.303 g/cm3
Melting Point: >300°C
PSA: 113.89000
LogP: 0.95760
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Specification

The systematic name of this chemical is 5-amino-2-chloro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one. With the CAS registry number 30161-95-6, it is also named as 5-amino-2-chlorothiazolo[4,5-d]pyrimidin-7(6H)-one. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C5H5ClN5OS.

The physical properties of Hexane,1,1,3,5,6-pentachloro-1,2,2,3,4,4,5,6,6-nonafluoro- are as following: (1)ACD/LogP: -0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 11; (6)ACD/KOC (pH 7.4): 6; (7)#H bond acceptors: 5; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 108.61 Å2; (11)Index of Refraction: 2.029; (12)Molar Refractivity: 44.825 cm3; (13)Molar Volume: 87.992 cm3; (14)Polarizability: 17.77×10-24cm3; (15)Surface Tension: 115.184 dyne/cm; (16)Density: 2.303 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1NC(\N)=N/c2nc(Cl)sc12
(2)InChI: InChI=1/C5H3ClN4OS/c6-4-8-2-1(12-4)3(11)10-5(7)9-2/h(H3,7,9,10,11)
(3)InChIKey: WFZAMWHTSBOQSR-UHFFFAOYAD