CCCCNC1CCC2=C(C1)SC(=N2)N.Cl.Cl
Name: 6-N-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;dihydrochloride
SMILES: CCCCNC1CCC2=C(C1)SC(=N2)N.Cl.Cl

Molecular Processing

Molecular formula
C11H21Cl2N3S
Molecular weight
298.28
Exact mass
297.0833
XLogP
2.82
TPSA
50.94
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
3
Fraction Csp3
0.727
Molar refractivity
79.75

Supplementary Information

InChIKey: WTXUEEWKMNSIQW-UHFFFAOYSA-N
Synonyme
SCHEMBL7317151WTXUEEWKMNSIQW-UHFFFAOYSA-N2-Amino-6-n-butylamino-4,5,6,7-tetrahydro-benzthiazole-dihydrochloride
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