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N-[4-(difluoromethylsulfanyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carbothioamide

N-[4-(difluoromethylsulfanyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carbothioamide structure

CAS No:
453516-91-1
Formula:
C14H19F2N3OS2
Chemical Name:
N-[4-(difluoromethylsulfanyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carbothioamide
Synonyms:
MLS000770432;CHEMBL1391140;HMS2691G12;ZINC13636185;AKOS000957107;MCULE-8968745024;SMR000343713;SR-01000047965;SR-01000047965-1;Z45760693;N-{4-[(difluoromethyl)sulfanyl]phenyl}-4-(2-hydroxyethyl)piperazine-1-carbothioamide;453516-91-1

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N-[4-(difluoromethylsulfanyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carbothioamide Basic Attributes

Molecular Weight：

347.5 g/mol

Exact Mass：

347.09376091 g/mol

Characteristics

PSA：

96.1 Å²

Water Solubility：

>52.1 [ug/mL]

Computed Properties

Molecular Weight:347.5
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:347.09376091
Monoisotopic Mass:347.09376091
Topological Polar Surface Area:96.1
Heavy Atom Count:22
Complexity:347
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-[4-(difluoromethylsulfanyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carbothioamide

Basic Attributes
Characteristics
Computed Properties

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