AG001CSS

14080-50-3 | Thieno[2,3-d]pyrimidin-4-ol

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CAS Number	14080-50-3
Catalog Number	AG001CSS(AGN-PC-0C5OOF)
Chemical Name	Thieno[2,3-d]pyrimidin-4-ol
IUPAC Name	3H-thieno[2,3-d]pyrimidin-4-one
InChI	InChI=1S/C6H4N2OS/c9-5-4-1-2-10-6(4)8-3-7-5/h1-3H,(H,7,8,9)
InChI Key	JEDVKUHCDPPWNR-UHFFFAOYSA-N
MDL Number	MFCD00706456
Molecular Formula	C6H4N2OS
Molecular Weight	152.1738
SMILES	O=c1c2c(nc[nH]1)scc2
Synonyms	thieno(2,3-d)pyrimidin-4(3H)-one, thieno[2,3-d]pyrimidin-4(3H)-one, 14080-50-3, thieno[2,3-d]pyrimidin-4-ol, thieno[2,3-d]pyrimidin-4(1h)-one, 3H-thieno[2,3-d]pyrimidin-4-one, 3H-Thieno[2,3-d]pyrimidine-4-one, 3H,4H-thieno[2,3-d]pyrimidin-4-one, thieno[2,3-d]pyrimidin-4(3h)one, 4-Hydroxythieno[2,3-d]pyrimidine, Thieno[2,3-d]pyrimidin-4-one, 3-hydrothiopheno[2,3-d]pyrimidin-4-one, PubChem18844, AC1MDB5Q, KSC870G0B, SCHEMBL652836, CHEMBL2432028, Thieno[2,3-d]pyrimidine-4-ol, CTK0H3761, CTK7H0300, CTK8A0883, thieno[2,3-d]pyrimidin -4-ol, DTXSID00384579, JEDVKUHCDPPWNR-UHFFFAOYSA-N, 3H-thieno[2,3-d]pyrimid-4-one, HMS1726E16, BCP26642, ZINC4023433, ANW-72863, CT-846, MFCD00706456, QC-858, SBB056378, STL306450, AKOS000281444, AKOS015856488, AKOS028109248, CS-W008324, HP23048, MCULE-7444389843, RP21493, RP21619, 3,4-dihydrothieno[2,3-d]pyrimidin4-one, AC-25253, AJ-47715, AK-33236, BR-33236, CJ-11266, EN002282, SC-24001, SY007979, 3,4-Dihydro-4-oxothieno[2,3-d]pyrimidine, AB0028297, AB1001025, DB-026908, 4CH-013403, AM20080307, FT-0670168, ST50051579, X0365, 3,4-Dihydrothieno [2,3-d] pyrimidin-4-one, 3,4-Dihydrothieno[ 2,3-d] pyrimidin-4-one, 4N-821, S-2549, MFCD00706456 (97+%), 080T503, J-524931, S14-1592, I14-10265, Z56761824, 3,4-Dihydro-4-oxothieno[2,3-d]pyrimidine, AldrichCPR, F0239-0160, null, C6H4N2OS, ZINC04023433, ACN-051665, CID2808547, Thieno[2,3-d]pyrimidin-4(3H)-one,, A15225,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	152.004g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	152.171g/mol
Monoisotopic Mass	152.004g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	69.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number