2,3-dihydro-1,4-benzodioxine-3-carbothioamide
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2,3-dihydro-1,4-benzodioxine-3-carbothioamide
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CAS No:
147031-85-4
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Formula:
C9H9NO2S
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Chemical Name:
2,3-dihydro-1,4-benzodioxine-3-carbothioamide
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Synonyms:
HMS555K14; 2,3-DIHYDRO-1,4-BENZODIOXINE-2-CARBOTHIOAMIDE;
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CAS No:
2,3-dihydro-1,4-benzodioxine-3-carbothioamide Basic Attributes
195.23800
195.03539970
DTXSID00381265
2932999099
Characteristics
76.57000
1.81280
1.349g/cm3
180ºC
338.7ºC at 760mmHg
158.7ºC
1.644
>29.3 [ug/mL]
9.62E-05mmHg at 25°C
Computed Properties
Molecular Weight:195.24
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:195.03539970
Monoisotopic Mass:195.03539970
Topological Polar Surface Area:76.6
Heavy Atom Count:13
Complexity:210
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 2,3-dihydro-1,4-benzodioxine-3-carbothioamide
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