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ethyl 4-(5-butyl-2-sulfanylidene-1,3,5-triazinan-1-yl)benzoate

ethyl 4-(5-butyl-2-sulfanylidene-1,3,5-triazinan-1-yl)benzoate structure

CAS No:
799816-13-0
Formula:
C16H23N3O2S
Chemical Name:
ethyl 4-(5-butyl-2-sulfanylidene-1,3,5-triazinan-1-yl)benzoate
Synonyms:
MLS000589763;SMR000219598;4-(5-Butyl-2-thioxo-[1,3,5]triazinan-1-yl)-benzoic acid ethyl ester;CHEMBL1508309;BDBM63177;cid_1864310;HMS2536M14;ethyl 4-(5-butyl-2-sulfanylidene-1,3,5-triazinan-1-yl)benzoate;STL308301;ZINC20189908;AKOS003406211;MCULE-8674222432;ethyl 4-(5-butyl-2-thioxo-1,3,5-triazinan-1-yl)benzoate;4-(5-butyl-2-thioxo-1,3,5-triazinan-1-yl)benzoic acid ethyl ester;4-(5-butyl-2-sulfanylidene-1,3,5-triazinan-1-yl)benzoic acid ethyl ester;799816-13-0

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ethyl 4-(5-butyl-2-sulfanylidene-1,3,5-triazinan-1-yl)benzoate Basic Attributes

Molecular Weight：

321.4 g/mol

Exact Mass：

321.15109816 g/mol

Characteristics

PSA：

76.9 Å²

Computed Properties

Molecular Weight:321.4
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:321.15109816
Monoisotopic Mass:321.15109816
Topological Polar Surface Area:76.9
Heavy Atom Count:22
Complexity:384
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 4-(5-butyl-2-sulfanylidene-1,3,5-triazinan-1-yl)benzoate

Basic Attributes
Characteristics
Computed Properties
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