CAS: 67680-25-5
الاسم: 2-methyl-3H-1,2-benzothiazole
SMILES:
CN1CC2=CC=CC=C2S1Molecular Processing
Molecular formula
C8H9NS
Molecular weight
151.23
Exact mass
151.0456
XLogP
2.14
TPSA
3.24
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
10
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
43.77
Supplementary Information
InChIKey: LCRYQHWBRQFUOO-UHFFFAOYSA-N
مرادفات
2-methyl-2,3-dihydro-benzo[d]isothiazoleSCHEMBL11217635SCHEMBL17185647SCHEMBL29463396LCRYQHWBRQFUOO-UHFFFAOYSA-N2-Methyl-2,3-dihydro-benzoisothiazole67680-25-5DB-356122
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