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21457-23-8

21457-23-8 | 3',7'-dimethyl-6',7'-dihydrospiro[cyclohexane-1,5'-[1,3]thiazolo[3,2-a]pyrimidin]-7'-ol hydrochloride(1:1)

CAS No: 21457-23-8 Catalog No: AG007QEN MDL No:

Product Description

Catalog Number:
AG007QEN
Chemical Name:
3',7'-dimethyl-6',7'-dihydrospiro[cyclohexane-1,5'-[1,3]thiazolo[3,2-a]pyrimidin]-7'-ol hydrochloride(1:1)
CAS Number:
21457-23-8
Molecular Formula:
C13H21ClN2OS
Molecular Weight:
288.8366
IUPAC Name:
3,7-dimethylspiro[6H-[1,3]thiazolo[3,2-a]pyrimidine-5,1'-cyclohexane]-7-ol;hydrochloride
InChI:
InChI=1S/C13H20N2OS.ClH/c1-10-8-17-11-14-12(2,16)9-13(15(10)11)6-4-3-5-7-13;/h8,16H,3-7,9H2,1-2H3;1H
InChI Key:
GDQXHLBUSZCLIU-UHFFFAOYSA-N
SMILES:
Cc1csc2=NC(CC3(n12)CCCCC3)(C)O.Cl

Properties

Complexity:
398  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.106g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
288.834g/mol
Monoisotopic Mass:
288.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

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