AG007K2W

14346-25-9 | 6,7-Dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one

AG007K2W

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CAS Number	14346-25-9
Catalog Number	AG007K2W(AGN-PC-0JMZB4)
Chemical Name	6,7-Dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
IUPAC Name	7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
InChI	InChI=1S/C9H8N2OS/c12-8-7-5-2-1-3-6(5)13-9(7)11-4-10-8/h4H,1-3H2,(H,10,11,12)
InChI Key	MZAZSAHKQBGEMA-UHFFFAOYSA-N
MDL Number	MFCD00464834
Molecular Formula	C9H8N2OS
Molecular Weight	192.2376
NSC Number	612490
SMILES	O=C1C(C2=C(CCC2)S3)=C3N=CN1
Synonyms	14346-25-9, 1,2,3,5-Tetrahydro-8-thia-5,7-diaza-cyclopenta[a]indene-4-one, 6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, 3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 5H-Cyclopenta(4,5)thieno(2,3-d)pyrimidin-4(3H)-one, 6,7-dihydro-, MFCD00464834, 6,7-Dihydro-5H-cyclopenta(4,5)thieno(2,3-d)pyrimidin-4(3H)-one, 3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[B]THIENO[2,3-D]PYRIMIDIN-4-ONE, 4H-Cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one,1,5,6,7-tetrahydro-, 7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one, 3,5,6,7-tetrahydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiophen-4-one, MZAZSAHKQBGEMA-UHFFFAOYSA-N, NSC612490, AC1L4AIF, MLS000777831, SCHEMBL916128, CHEMBL1374627, SCHEMBL16274176, CTK4C3656, KS-00003KGF, DTXSID30162428, CHEBI:112391, HMS1762K16, HMS2770A18, ALBB-023989, ZINC8652778, BBL028668, SBB014514, STK299922, STK853825, AKOS000272790, AKOS005630647, AB06223, FS-1650, MCULE-5319571315, NSC-612490, RP25183, NCGC00246390-01, AJ-57850, ICX-56290675, LS-58256, SMR000414183, ST075424, AB0077747, DB-042686, CS-0044139, FT-0637064, R3227, Z2665, J-503774, Z56887776, F0239-1012, 6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-ol, 3,5,6,7-Tetrahydro-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE, 3,5,6,7-TETRAHYDRO-, 7-thia-9,11-diazatricyclo[6.4.0.0(2),]dodeca-1(8),2(6),9-trien-12-one, 7-thia-9,11-diazatricyclo[6.4.0.0?,?]dodeca-1(12),2(6),8,10-tetraen-12-ol, C9H8N2OS, C9-H8-N2-O-S, CID203420, 2,6,7,8-tetrahydrocyclopenta[2,3]thieno[2,4-d]pyrimidin-1-one, 1,2,3,5-Tetrahydro-8-thia-5,7-diaza-cyclopenta[a]indene-4-one, 97% - 1G 1g,

Complexity	279
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.036g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	192.236g/mol
Monoisotopic Mass	192.036g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	69.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P304+P340-P305+P351+P338-P405-P501
UN Code

Certificate of Analysis

Lot Number