AG001A3S

13906-09-7 | 4(1H)-Quinazolinone, 2,3-dihydro-2-thioxo-

AG001A3S

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CAS Number	13906-09-7
Catalog Number	AG001A3S(AGN-PC-0JUWFN)
Chemical Name	4(1H)-Quinazolinone, 2,3-dihydro-2-thioxo-
EC Number	237-676-3
IUPAC Name	2-sulfanylidene-1H-quinazolin-4-one
InChI	InChI=1S/C8H6N2OS/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)
InChI Key	PUPFOFVEHDNUJU-UHFFFAOYSA-N
MDL Number	MFCD00006885
Molecular Formula	C8H6N2OS
Molecular Weight	178.2110
SMILES	S=C1NC2=CC=CC=C2C(N1)=O
Synonyms	2-mercapto-4(3H)-quinazolinone, 13906-09-7, 2-Mercapto-4(3H)-quinazolinone, 2-Mercaptoquinazolin-4(3H)-one, 2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 2-sulfanylidene-1H-quinazolin-4-one, 2-sulfanylquinazolin-4(1H)-one, 4(1H)-Quinazolinone, 2,3-dihydro-2-thioxo-, 2-sulfanylquinazolin-4-ol, 2-sulfanyl-3,4-dihydroquinazolin-4-one, 2,3-Dihydro-2-thioxoquinazolin-4(1H)-one, 2-sulfanylquinazolin-4(3H)-one, PUPFOFVEHDNUJU-UHFFFAOYSA-N, 4-Quinazolinol, 2-mercapto-, EINECS 237-676-3, ZERO/005698, 2-mercapto-3,4-dihydro-4-quinazolone, 3d1v, ACMC-209cil, 2-thioquinazolin-4-one, 2-thioxoquinazol-4-one, AC1LECF3, 2-Mercapto-4-quinazolinol, 2-mercaptoquinazolin-4-one, 2-mercaptoquinazoline-4-one, 2-mercapto(3H)quinazolinone, SCHEMBL894736, 2-Thio-4(3H)-quinazolinone, CHEMBL1232053, 2-mercapto-3H-quinazolin-4-one, 2-mercapto-4(1h)-quinazolinone, CTK4C1516, 2-Sulfanyl-4(3H)-quinazolinone, DTXSID50160880, 2-mercapto-4(3 h)-quinazolinone, HMS1578A10, HMS1607A10, KUC108902N, 4-hydroxyquinazoline-2(1H)-thione, ALBB-018562, KSC-27-034B, 4(3H)-quinazolinone, 2-mercapto-, ANW-20491, BBL013904, BBL018688, BBL019077, MFCD00006885, MFCD00631246, SBB013596, STK409562, STK511371, STK726938, STL197914, ZINC12360233, AKOS000120856, AKOS000284856, AKOS000297154, AKOS002325460, AKOS003238837, 2-thioxo-1,3-dihydroquinazolin-4-one, GF-0138, MCULE-8899058869, KS-000012Y6, 2-Mercapto-4(3H)-quinazolinone, 97%, 123533-72-2, AJ-61681, ST078256, AB1004089, DB-021255, 2,3-Dihydro-2-thioxo-4(1H)-quinazolinone, 2-sulfanylidene-1,3-dihydroquinazolin-4-one, CS-0063895, EU-0066865, FT-0636978, M1089, R1157, T7390, T8797, 4(1H)-Quinazolinone,2,3-dihydro-2-thioxo-, 2-thioxo-1,2,3,4-tetrahydroquinazolin-4-one, 4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline, A807474, CS-008/04098013, SR-01000389714, I08-1131, J-007217, SR-01000389714-1, Z56998592, F0037-9201, D1V, InChI=1/C8H6N2OS/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12, null, C8-H6-N2-O-S, CID683940, 2,4(1H,3H)-Quinazolinedione, 2-thio-,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.02g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	178.209g/mol
Monoisotopic Mass	178.02g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	73.2A^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-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number