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1289388-03-9 | 5-Thiazolemethanamine, 2-chloro-N-(1-methylethyl)-
CAS No: 1289388-03-9 Catalog No: AG000YN5 MDL No:MFCD18837201
Product Description
Catalog Number:
AG000YN5
Chemical Name:
5-Thiazolemethanamine, 2-chloro-N-(1-methylethyl)-
CAS Number:
1289388-03-9
Molecular Formula:
C7H11ClN2S
Molecular Weight:
190.6936
MDL Number:
MFCD18837201
IUPAC Name:
N-[(2-chloro-1,3-thiazol-5-yl)methyl]propan-2-amine
InChI:
InChI=1S/C7H11ClN2S/c1-5(2)9-3-6-4-10-7(8)11-6/h4-5,9H,3H2,1-2H3
InChI Key:
SMJHBQKLFJQYMR-UHFFFAOYSA-N
SMILES:
CC(NCc1cnc(s1)Cl)C
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.033g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.689g/mol
Monoisotopic Mass:
190.033g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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