AG0031OA

309271-94-1 | 1-Butanone, 1-(10H-phenothiazin-10-yl)-2-(5H-1,2,4-triazino[5,6-b]indol-3-ylthio)-

AG0031OA

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CAS Number	309271-94-1
Catalog Number	AG0031OA(AGN-PC-0WNJ9T)
Chemical Name	1-Butanone, 1-(10H-phenothiazin-10-yl)-2-(5H-1,2,4-triazino[5,6-b]indol-3-ylthio)-
IUPAC Name	1-phenothiazin-10-yl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butan-1-one
InChI	InChI=1S/C25H19N5OS2/c1-2-19(33-25-27-23-22(28-29-25)15-9-3-4-10-16(15)26-23)24(31)30-17-11-5-7-13-20(17)32-21-14-8-6-12-18(21)30/h3-14,19H,2H2,1H3,(H,26,27,29)
InChI Key	VHUOXERIKQWIJE-UHFFFAOYSA-N
MDL Number	MFCD01819836
Molecular Formula	C25H19N5OS2
Molecular Weight	469.5813
SMILES	CCC(SC1=NN=C2C(NC3=C2C=CC=C3)=N1)C(N4C5=C(C=CC=C5)SC6=CC=CC=C46)=O
Synonyms	10-(2-(5H-(1,2,4)triazino(5,6-b)indol-3-ylthio)butanoyl)-10H-phenothiazine, inauhzin, inauhzin, 309271-94-1, 1-Phenothiazin-10-yl-2-(9H-1,3,4,9-tetraaza-fluoren-2-ylsufanyl)-butan-1-one (Inauhzin), AC1NUV9U, CBKinase1_002235, CBKinase1_014635, Oprea1_520286, Oprea1_774067, SCHEMBL12821588, AOB1271, EX-A360, SYN5075, VHUOXERIKQWIJE-UHFFFAOYSA-N, BCP08991, 3735AH, MFCD01819836, STK760853, AKOS001755077, CS-2404, MCULE-1250539740, AK175751, AS-16441, BC600453, HY-15869, FT-0700284, J-018196, BRD-A86917046-001-01-3, A2073/0087144, 1-(10H-phenothiazin-10-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)-1-butanone, 1-(10H-phenothiazin-10-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butan-1-one, 1-Butanone, 1-(10H-phenothiazin-10-yl)-2-(5H-1,2,4-triazino[5,6-b]indol-3-ylthio)-, 1-phenothiazin-10-yl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butan-1-one, 2-((5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)-1-(10H-phenothiazin-10-yl)butan-1-one, 2-((5H-[1,2,4]triazino[5,6-b]indole-3yl)thio)-1-(10H-phenothiazin-10-yl)butan-1-one, C25H19N5OS2, ZINC02186121, ACN-039842, CID5494506, C573921, INZ, 10-(2-(5H-(1,2,4)triazino(5,6-b)indol-3-ylthio)butanoyl)-10H-phenothiazine, 2-(9H-[1,2,4]TRIAZINO[6,5-B]INDOL-3-YLTHIO)-1-(10H-PHENOTHIAZIN-10-YL)BUTAN-1-ONE,

Complexity	690
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	469.103g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	469.581g/mol
Monoisotopic Mass	469.103g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	125A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	5.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H317
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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