CC1=C(SC=[N+]1CC2=CC=CC=C2)CCO
CAS: 46719-49-7
名称: 2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol
SMILES: CC1=C(SC=[N+]1CC2=CC=CC=C2)CCO

Molecular Processing

Molecular formula
C13H16NOS+
Molecular weight
234.34
Exact mass
234.0947
XLogP
1.93
TPSA
24.11
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
1
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
65.58

Supplementary Information

InChIKey: KFFCZLRCIKDJRE-UHFFFAOYSA-N
同義語
46719-49-73-benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-iumSTK256619HMS1397F14CA inhibitor, 2Enamine_001180CBDivE_007352SCHEMBL2900332DTXSID90329954BDBM237291AKOS001603491
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