AG003UP9

1072-72-6 | Tetrahydrothiopyran-4-one

AG003UP9

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CAS Number	1072-72-6
Catalog Number	AG003UP9(AGN-PC-0JL715)
Chemical Name	Tetrahydrothiopyran-4-one
EC Number	214-015-7
IUPAC Name	thian-4-one
InChI	InChI=1S/C5H8OS/c6-5-1-3-7-4-2-5/h1-4H2
InChI Key	OVRJVKCZJCNSOW-UHFFFAOYSA-N
MDL Number	MFCD00006660
Molecular Formula	C5H8OS
Molecular Weight	116.1814
NSC Number	41599
SMILES	O=C1CCSCC1
UNII	667X5M356L
Synonyms	Tetrahydrothiopyran-4-one, 1072-72-6, Tetrahydro-4H-thiopyran-4-one, thian-4-one, 4-Oxothiane, 4-Thiacyclohexanone, Penthianone, 1-Thiacyclohexan-4-one, dihydro-2H-thiopyran-4(3H)-one, 4H-Thiopyran-4-one, tetrahydro-, 4-Oxotetrahydrothiopyran, Tetrahydro-4-thiopyrone, Tetrahydro-1,4-thiapyrone, Tetrahydro-thiopyran-4-one, Tetrahydrothiopyranone, Tetrahydro-1-thio-4-pyrone, UNII-667X5M356L, 4-THIANONE, NSC 41599, 2,3,5,6-Tetrahydro-4-thiopyranone, OVRJVKCZJCNSOW-UHFFFAOYSA-N, Tetrahydro-1-thio-.gamma.-pyrone, MFCD00006660, TETRAHYDRO-2H-THIOPYRAN-4-ONE, 667X5M356L, Tetrahydro-1-thio-gamma-pyrone, EINECS 214-015-7, PubChem18603, tetrahydrothiopyran4-one, Tetrahydrothiopyran-4one, terahydrothiopyran-4-one, Tetrahydrothia-4-pyranone, AC1L24SE, AC1Q6ET3, AC1Q6ET4, 4h-tetrahydrothiopyran-4-one, KSC176M7L, SCHEMBL103558, ACMC-2098o2, Tetrahydro-4H-thiapyran-4-one, SCHEMBL5196763, Tetrahydrothiopyranone (Related), CTK0H6675, Tetrahydrothiopyran-4-one, 99%, DTXSID40147948, tetrahydro-(4H)-thiopyran-4-one, 2,5,6-Tetrahydro-4-thiopyranone, HMS1788F19, ACN-S003110, ACT03398, ALBB-006274, BCP09565, dihydro-2H-thiopyran-4 (3H)-one, EBD38445, NSC41599, ANW-15504, BBL013276, NSC-41599, SBB048121, STK503799, ZINC16046250, AKOS000321369, Tetrahydro-4H-thiopyran-4-one, 99%, AC-1822, CS-W002007, CT-1019, LS40396, MCULE-8638366518, PB25896, PS-4496, RP00630, RTC-061403, TRA0005763, KS-000008F5, AJ-68072, AK-25499, AN-48405, BR-25499, CJ-15259, SC-19697, SY007101, AB0012637, DB-015053, ST2413968, TC-061403, 4CH-013329, AM20080026, C3296, FT-0633295, O0112, ST50946661, EN300-10900, MFCD00006660 (98%), M-3559, 44179-EP2308812A2, 44179-EP2311814A1, 4H-Thiopyran-4-one, tetrahydro- (8CI)(9CI), 072T726, H111606, I09-1358, Tetrahydro-4H-thiopyran-4-one; 4-Thiacyclohexanone, W-204630, F0001-2573, InChI=1/C5H8OS/c6-5-1-3-7-4-2-5/h1-4H, Tetrahydro-4H-thiopyran-4-one, purum, >=99.0% (GC), C5H8OS, C5-H8-O-S, 1-Bromo-4-(ethylsulfonyl)benzene, CID66173, ACN-036678, A2064, M0222, Tetrahydro-4H-thiopyran-4-one, 99% - 1G 1g,

Complexity	72.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	116.03g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	116.178g/mol
Monoisotopic Mass	116.03g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	42.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

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