Home Other Building Blocks N-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine

N-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine

CAS No.:
70590-67-9
Catalog Number:
AG01C3CH
Molecular Formula:
C11H18N2S
Molecular Weight:
210.3390
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Product Description
Catalog Number:
AG01C3CH
Chemical Name:
N-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
CAS Number:
70590-67-9
Molecular Formula:
C11H18N2S
Molecular Weight:
210.3390
MDL Number:
MFCD22047621
IUPAC Name:
N-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
InChI:
InChI=1S/C11H18N2S/c1-2-3-6-12-9-4-5-10-11(7-9)14-8-13-10/h8-9,12H,2-7H2,1H3
InChI Key:
NGUHEHKNWBZSCH-UHFFFAOYSA-N
SMILES:
CCCCNC1CCc2c(C1)scn2
Properties
Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.119g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.339g/mol
Monoisotopic Mass:
210.119g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties