2-[2-cyclobutyl-3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]-3-methyl-1,3-benzothiazol-3-ium--iodide (1/1)

Chemical Structure Depiction of
2-[2-cyclobutyl-3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]-3-methyl-1,3-benzothiazol-3-ium--iodide (1/1)
Available: 1 mg
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mg
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Compound characteristics

Compound ID: 2324-0018
Compound Name: 2-[2-cyclobutyl-3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]-3-methyl-1,3-benzothiazol-3-ium--iodide (1/1)
Molecular Weight: 518.48
Molecular Formula: C23 H23 N2 S2
Salt: I-
Smiles: CN1/C(=C/C(=C\c2[n+](C)c3ccccc3s2)\C2CCC2)Sc2ccccc12
Stereo: ACHIRAL
logP: 5.9627
logD: 5.9627
logSw: -5.6927
Hydrogen bond acceptors count: 1
Polar surface area: 3.5202
InChI Key: MRQCUOXPTUDQLC-UHFFFAOYSA-N
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