(9-hydroxy-7,7,13-trimethyl-3-sulfanylidene-4,5-dithia-8-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),9,11(15),12-pentaen-10-yl)iminothiourea
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![(9-hydroxy-7,7,13-trimethyl-3-sulfanylidene-4,5-dithia-8-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),9,11(15),12-pentaen-10-yl)iminothiourea structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d61e4318df8e42b39e95add4bf4dd9b7.png "(9-hydroxy-7,7,13-trimethyl-3-sulfanylidene-4,5-dithia-8-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),9,11(15),12-pentaen-10-yl)iminothiourea")
(9-hydroxy-7,7,13-trimethyl-3-sulfanylidene-4,5-dithia-8-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),9,11(15),12-pentaen-10-yl)iminothiourea
structure -
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CAS No:
524056-01-7
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Formula:
C16H14N4OS4
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Chemical Name:
(9-hydroxy-7,7,13-trimethyl-3-sulfanylidene-4,5-dithia-8-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),9,11(15),12-pentaen-10-yl)iminothiourea
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Synonyms:
(2E)-2-(2,7,7-trimethyl-5-oxo-10-thioxo-7,10-dihydro[1,2]dithiolo[3,4-c]pyrrolo[3,2,1-ij]quinolin-4(5H)-ylidene)hydrazinecarbothioamide;ZINC6167666;STK105818;AKOS002225079;AKOS003308954;ZINC101509182;MCULE-6644379459;ST50106292;(E)-2-(2,7,7-trimethyl-5-oxo-10-thioxo-[1,2]dithiolo[3,4-c]pyrrolo[3,2,1-ij]quinolin-4(5H,7H,10H)-ylidene)hydrazinecarbothioamide;524056-01-7
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CAS No:
(9-hydroxy-7,7,13-trimethyl-3-sulfanylidene-4,5-dithia-8-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),9,11(15),12-pentaen-10-yl)iminothiourea Basic Attributes
406.6 g/mol
406.00504578 g/mol
Computed Properties
Molecular Weight:406.6
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:406.00504578
Monoisotopic Mass:406.00504578
Topological Polar Surface Area:191
Heavy Atom Count:25
Complexity:706
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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