AG002OEU

24519-85-5 | 5H-1,4-Dithiino[2,3-c]pyrrole-5,7(6H)-dione, 2,3-dihydro-

AG002OEU

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CAS Number	24519-85-5
Catalog Number	AG002OEU(AGN-PC-0JKMK5)
Chemical Name	5H-1,4-Dithiino[2,3-c]pyrrole-5,7(6H)-dione, 2,3-dihydro-
IUPAC Name	2,3-dihydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dione
InChI	InChI=1S/C6H5NO2S2/c8-5-3-4(6(9)7-5)11-2-1-10-3/h1-2H2,(H,7,8,9)
InChI Key	XNIVQWHLYNEVBN-UHFFFAOYSA-N
MDL Number	MFCD01632185
Molecular Formula	C6H5NO2S2
Molecular Weight	187.2394
NSC Number	179792
SMILES	O=C1NC(=O)C2=C1SCCS2
Synonyms	5,6-dihydro-4-dithiin-2,3-dicarboxylic acid imide, 5,6-dihydro-p-dithiin-2,3-dicarboxylic acid imide, 24519-85-5, 5,6-Dihydro-1,4-dithiin-2,3-dicarboximide, NSC 179792, 2H-[1,4]Dithiino[2,3-c]pyrrole-5,7(3H,6H)-dione, 5,6-Dihydro-4-dithiin-2,3-dicarboxylic acid imide, BRN 0516952, 5,6-Dihydro-p-dithiin-2,3-dicarboximide, 3,6-Dithia-3,4,5,5-tetrahydrophthalimide, 3,6-Dithia-3,4,5,6-tetrahydrophthalimide, p-DITHIIN-2,3-DICARBOXIMIDE, 5,6-DIHYDRO-, 2,3-dihydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dione, 2,3-Dihydro-1,4-dithiino[2,3-c]pyrrol-5,7-dione, 2,3-Dihydro-1,4-dithiino[2,3-c]pyrrole-5,7-dione, AC1L1NRC, p-Dithiin-2, 5,6-dihydro-, 3,4,5,5-tetrahydrophthalimide, CHEMBL2262350, SCHEMBL12835482, DTXSID10179271, KS-000015FX, ZINC1730219, FCH917858, GEO-01089, MFCD01632185, NSC179792, AKOS005254585, NSC-179792, ACM24519855, AN-25114, CJ-29405, LS-63205, 5,6-Dihydro-1,4-dithiin-2,3-dicarbimide, D2574, FT-0609642, 5H-1,3-c]pyrrole-5,7(6H)-dione, 2,3-dihydro-, 2,3-dihydro-5h-[1,4]dithiino[2,3-c]pyrrole-5,7(6h)-dione, 2H,3H,5H,6H,7H-[1,4]dithiino[2,3-c]pyrrole-5,7-dione, 2,3,6,7-Tetrahydro-5H-1,4-dithiino[2,3-c]pyrrole-5,7-dione, 5H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-, 5H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro- (9CI), C6H5NO2S2, C6-H5-N-O2-S2, CID32477, dihydro-2H-[1,4]dithiino[2,3-c]pyrrole-5,7(3H,4aH)-dione, 5H-1,4-Dithiino[2,3-c]pyrrole-5,7(6H)-dione, 2,3-dihydro-,

Complexity	246
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.976g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	187.231g/mol
Monoisotopic Mass	186.976g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	96.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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