AG0033DC

36822-11-4 | 6-Phenyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one

AG0033DC

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CAS Number	36822-11-4
Catalog Number	AG0033DC(AGN-PC-0BTG67)
Chemical Name	6-Phenyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one
EC Number	253-227-4
IUPAC Name	6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one
InChI	InChI=1S/C10H8N2OS/c13-9-6-8(11-10(14)12-9)7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)
InChI Key	XEKNACRTWJHOCE-UHFFFAOYSA-N
MDL Number	MFCD00059166
Molecular Formula	C10H8N2OS
Molecular Weight	204.2483
SMILES	Oc1nc(S)nc(c1)c1ccccc1
Synonyms	6-phenylthiouracil, 36822-11-4, 6-Phenyl-2-thiouracil, 2-mercapto-6-phenylpyrimidin-4-ol, 4-Hydroxy-2-mercapto-6-phenylpyrimidine, 6-Phenylthiouracil, 6-Phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 4(1H)-Pyrimidinone, 2,3-dihydro-6-phenyl-2-thioxo-, 6-phenyl-2-sulfanylpyrimidin-4-ol, 2-Mercapto-6-phenylpyrimidin-4-one, 2-Mercapto-6-phenyl-pyrimidin-4-ol, 2-mercapto-6-phenylpyrimidin-4(3H)-one, XEKNACRTWJHOCE-UHFFFAOYSA-N, NSC42600, MFCD00059166, 6-phenyl-2-sulfanylpyrimidin-4(1H)-one, 6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one, 2,3-dihydro-2-thioxo-6-phenylpyrimidin-4(1H)-one, 6-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one, EINECS 253-227-4, NSC 42600, NSC 163991, ACMC-209ioy, AI3-26584, AC1LF3IZ, AC1Q7FAF, ChemDiv3_000344, CBChromo1_000231, CBDivE_012254, SCHEMBL1006272, CHEMBL1212975, NIOSH/UW6830000, CTK8A0810, CTK8B1552, CCG-605, DTXSID80190291, HMS1473P14, 6-phenyl-2-sulfanyl-4-pyrimidinol, 6-Phenyl-2-thiouracil, >=95%, 2-Mercapto-4-phenyl-6-pyrimidinol, ALBB-026993, KS-00000G4W, ANW-28496, BBL001460, BBL001683, HTS000711, NSC-42600, NSC163991, SBB093336, STK382461, STK574454, STL102641, ZINC18179314, 6-Pyrimidinol, 2-mercapto-4-phenyl-, AKOS000111876, AKOS005203242, AKOS005208337, AKOS005451230, AS-5217, BS-4149, MCULE-7392285387, NSC-163991, RP26090, TRA0035388, VP50244, 6-phenyl-2-thioxo-1H-pyrimidin-4-one, IDI1_019662, 2-mercapto-4-hydroxy-6-phenylpyrimidine, 2-mercapto-6-hydroxy-4-phenylpyrimidine, 6-phenyl-2-sulfanylhydropyrimidin-4-one, NCGC00175843-01, 6-phenyl-2-sulfanyl-3H-pyrimidin-4-one, AC-10796, AJ-70420, AK155490, HC210136, SC-58117, 6-Phenyl-2-thiouracil, analytical standard, AB0002546, AB0166264, DB-049012, LS-135798, BB 0242494, FT-0639342, P0236, R3232, ST24040746, ST50900153, UW68300000, W-7127, 6-HYDROXY-2-MERCAPTO-4-PHENYLPYRIMIDINE, 6-phenyl-2-sulfanyl-3,4-dihydropyrimidin-4-one, A823385, AC-907/34127061, 6-Phenyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-on, 6-Phenyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone, SR-01000636416-1, W-202521, 6-phenyl-2-sulfanylidene-1,3-dihydropyrimidin-4-one, 6-Phenyl-2-thioxo-2,3-dihydro-1H-pyrimidin- 4-one, 6-Phenyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone #, BRD-K26169329-001-01-0, I14-59314, F0043-0080, F2135-0911, Phenylthiouracil, C10H8N2OS, Oc1nc(S)nc(c1)c2ccccc2, C10-H8-N2-O-S, AR-1E2997, CID697057, 2-mercapto-6-phenylpyrimidin-4(1H)-one, 6-Phenyl-2-thiouracil, 98% - 1G 1g, 10342-83-3, 37056-75-0,

Complexity	293
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.036g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	204.247g/mol
Monoisotopic Mass	204.036g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	73.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P280
UN Code

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