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88323-90-4 | 1-[2-(butylamino)-4-methyl-1,3-thiazol-5-yl]ethan-1-one hydrochloride
CAS No: 88323-90-4 Catalog No: AG01FJAE MDL No:
Product Description
Catalog Number:
AG01FJAE
Chemical Name:
1-[2-(butylamino)-4-methyl-1,3-thiazol-5-yl]ethan-1-one hydrochloride
CAS Number:
88323-90-4
Molecular Formula:
C10H17ClN2OS
Molecular Weight:
248.7728
IUPAC Name:
1-[2-(butylamino)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride
InChI:
InChI=1S/C10H16N2OS.ClH/c1-4-5-6-11-10-12-7(2)9(14-10)8(3)13;/h4-6H2,1-3H3,(H,11,12);1H
InChI Key:
VTIQHMBUZYLMNZ-UHFFFAOYSA-N
SMILES:
CCCCNc1nc(c(s1)C(=O)C)C.Cl
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.769g/mol
Monoisotopic Mass:
248.075g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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