N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinecarbothioamide

CAS

96447-49-3

Catalog Number

ACM96447493

Category

Other Products

Molecular Weight

277.35

Molecular Formula

C₁₂H₁₅N₅OS

MSDS COA Spec Sheet

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Specification

Synonyms

OTAVA-BB BB0112120182;N-(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)HYDRAZINECARBOTHIOAMIDE;TIMTEC-BB SBB009646;AKOS BBS-00001850;ART-CHEM-BB B023272;AURORA 21895;IFLAB-BB F0207-0659

What is the molecular formula of the compound represented by PubChem CID 722817?

The molecular formula is C12H15N5OS.

What is the computed molecular weight of the compound?

The computed molecular weight is 277.35 g/mol.

Can you provide some synonyms for the compound with PubChem CID 722817?

Some synonyms are 96447-49-3, N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinecarbothioamide, NSC695067, and 1-amino-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea.

What is the InChIKey for the compound?

The InChIKey is AECZZXCAOYZBRA-UHFFFAOYSA-N.

How many hydrogen bond donor counts are there in the compound?

There are 3 hydrogen bond donor counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 106?2.

Is the compound canonicalized?

Yes, the compound is canonicalized.

How many rotatable bond counts are there?

There are 2 rotatable bond counts.

What is the complexity of the compound?

The complexity is 416.