7-benzylsulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,7,11(16)-tetraene-5-thione
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7-benzylsulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,7,11(16)-tetraene-5-thione
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CAS No:
579440-74-7
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Formula:
C18H16N4S3
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Chemical Name:
7-benzylsulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,7,11(16)-tetraene-5-thione
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Synonyms:
ZINC6104880;STK720373;STL559487;AKOS005529149;AKOS037516511;MCULE-2171850203;5-(benzylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine-3(2H)-thione;5-(benzylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thiol;579440-74-7
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CAS No:
7-benzylsulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,7,11(16)-tetraene-5-thione Basic Attributes
384.5 g/mol
384.05371005 g/mol
Computed Properties
Molecular Weight:384.5
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:384.05371005
Monoisotopic Mass:384.05371005
Topological Polar Surface Area:126
Heavy Atom Count:25
Complexity:613
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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