AG00C7L0

35978-39-3 | 5-Phenylthieno[2,3-d]pyrimidin-4-one

AG00C7L0

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CAS Number	35978-39-3
Catalog Number	AG00C7L0(AGN-PC-0JN77G)
Chemical Name	5-Phenylthieno[2,3-d]pyrimidin-4-one
IUPAC Name	5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
InChI	InChI=1S/C12H8N2OS/c15-11-10-9(8-4-2-1-3-5-8)6-16-12(10)14-7-13-11/h1-7H,(H,13,14,15)
InChI Key	OLGMRBGIXZANNV-UHFFFAOYSA-N
MDL Number	MFCD00126441
Molecular Formula	C12H8N2OS
Molecular Weight	228.2697
SMILES	O=C1C(C(C2=CC=CC=C2)=CS3)=C3N=CN1
Synonyms	35978-39-3, 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, 5-Phenyl-3H-thieno[2,3-d]pyrimidin-4-one, 5-phenylthieno[2,3-d]pyrimidin-4-ol, 5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one, Thieno(2,3-d)pyrimidin-4(1H)-one, 5-phenyl-, 5-phenylthieno[2,3-d]pyrimidin-4-one, 5-Phenylthieno(2,3-d)pyrimidin-4(1H)-one, 5-phenylthieno[2,3-d]pyrimidin-4(1h)-one, Thieno[2,3-d]pyrimidin-4(1H)-one, 5-phenyl-, 4-HYDROXY-5-PHENYLTHIENO[2,3-D]PYRIMIDINE, 5-phenyl-3-hydrothiopheno[2,3-d]pyrimidin-4-one, 4mcd, 22L, AC1Q6LMP, Maybridge1_003818, AC1L4Z7W, MLS000067654, SCHEMBL2368706, CHEMBL1369722, CTK4H5692, CTK7H0288, CTK8A0878, HMS552F12, DTXSID50189531, OLGMRBGIXZANNV-UHFFFAOYSA-N, HMS2162C07, HMS3309K13, ALBB-032395, KS-00000PU9, ZINC8578704, 7-phenyl-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-5-one, ANW-45763, BBL003313, CCG-50198, MFCD01680461, SBB076255, STK281837, STL069952, TD8062, AKOS000579708, AKOS003609252, AKOS025402005, FS-1654, MCULE-8508752142, RP27753, NCGC00245313-01, AC-28072, AJ-70359, AM807571, BAS 01862213, SMR000125060, ST037057, AB0024468, LS-152523, ST2406350, FT-0687999, W5745, 5-Phenyl-thieno[2,3-d]pyrimidin-4(1H)-one, Thieno[2,3-d]pyrimidin-4(1H)-one,5-phenyl-, SR-01000399524, J-517931, SR-01000399524-1, SR-01000399524-2, BRD-K44359566-001-07-4, Z56886506, 5-Phenyl-3H-thieno[2,3-d]pyrimidin-4-one, AldrichCPR, C12H8N2OS, C12-H8-N2-O-S, AR-1G9436, CID215639, ZINC00097682, ACN-051827, C-1136, 5-Phenyl-3H-thieno[2,3-d]pyrimidin-4-one, 97% - 1G 1g, 40739-73-9,

Complexity	312
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.036g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	228.269g/mol
Monoisotopic Mass	228.036g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	69.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number