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CHEMCOLLECT KR012288

CAS No.:
642929-72-4
Catalog Number:
AG01DWKE
Molecular Formula:
C10H16N2S
Molecular Weight:
196.3124
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Product Description
Catalog Number:
AG01DWKE
Chemical Name:
CHEMCOLLECT KR012288
CAS Number:
642929-72-4
Molecular Formula:
C10H16N2S
Molecular Weight:
196.3124
MDL Number:
MFCD05221624
IUPAC Name:
1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)ethanamine
InChI:
InChI=1S/C10H16N2S/c1-7(11)10-12-8-5-3-2-4-6-9(8)13-10/h7H,2-6,11H2,1H3
InChI Key:
YDMCERABGNXVGB-UHFFFAOYSA-N
SMILES:
CC(c1nc2c(s1)CCCCC2)N
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.103g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.312g/mol
Monoisotopic Mass:
196.103g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties