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Structure

(Z)-Dimethyl 2-(1-butyl-3-isopropyl-1H-imidazol-2(3H)-ylidene)-3-thioxosuccinate

CAS
938051-45-7
Catalog Number
ACM938051457
Category
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What is the molecular formula of (Z)-Dimethyl 2-(1-butyl-3-isopropyl-1H-imidazol-2(3H)-ylidene)-3-thioxosuccinate?

The molecular formula is C16H24N2O4S.

When was (Z)-Dimethyl 2-(1-butyl-3-isopropyl-1H-imidazol-2(3H)-ylidene)-3-thioxosuccinate created?

It was created on June 19, 2007.

What is the molecular weight of (Z)-Dimethyl 2-(1-butyl-3-isopropyl-1H-imidazol-2(3H)-ylidene)-3-thioxosuccinate?

The molecular weight is 340.4 g/mol.

What is the InChIKey of (Z)-Dimethyl 2-(1-butyl-3-isopropyl-1H-imidazol-2(3H)-ylidene)-3-thioxosuccinate?

The InChIKey is NNODNUFNEPTYBD-WYMLVPIESA-N.

How many hydrogen bond acceptor counts does (Z)-Dimethyl 2-(1-butyl-3-isopropyl-1H-imidazol-2(3H)-ylidene)-3-thioxosuccinate have?

It has 7 hydrogen bond acceptor counts.

What is the XLogP3-AA value of (Z)-Dimethyl 2-(1-butyl-3-isopropyl-1H-imidazol-2(3H)-ylidene)-3-thioxosuccinate?

The XLogP3-AA value is 3.2.

How many rotatable bond counts does (Z)-Dimethyl 2-(1-butyl-3-isopropyl-1H-imidazol-2(3H)-ylidene)-3-thioxosuccinate have?

It has 9 rotatable bond counts.

What is the topological polar surface area of (Z)-Dimethyl 2-(1-butyl-3-isopropyl-1H-imidazol-2(3H)-ylidene)-3-thioxosuccinate?

The topological polar surface area is 91.2 Ų.

How many heavy atoms are present in (Z)-Dimethyl 2-(1-butyl-3-isopropyl-1H-imidazol-2(3H)-ylidene)-3-thioxosuccinate?

There are 23 heavy atoms.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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