AG002EWY

19090-03-0 | 2H-​Thiopyran-​3(4H)​-​one, dihydro-

AG002EWY

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CAS Number	19090-03-0
Catalog Number	AG002EWY(AGN-PC-0JMRDB)
Chemical Name	2H-​Thiopyran-​3(4H)​-​one, dihydro-
IUPAC Name	thian-3-one
InChI	InChI=1S/C5H8OS/c6-5-2-1-3-7-4-5/h1-4H2
InChI Key	ATAMXDLUUTYFKT-UHFFFAOYSA-N
MDL Number	MFCD00040796
Molecular Formula	C5H8OS
Molecular Weight	116.1814
SMILES	O=C1CCCSC1
Synonyms	Dihydro-2H-thiopyran-3(4H)-one, 19090-03-0, thian-3-one, 2H-Thiopyran-3(4H)-one, dihydro-, Tetrahydro-2H-thiopyran-3-one, 3-Thiacyclohexanone, Tetrahydrothiopyran-3-one, ATAMXDLUUTYFKT-UHFFFAOYSA-N, 3-oxothiane, 3-thianone, 3-Oxotetrahydrothiopyran, 1-Thiacyclohexan-3-one, Dihydro-thiopyran-3-one, AC1Q6EQY, Tetrahydrothia-3-pyranone, AC1L3H1C, SCHEMBL621262, DTXSID00172599, CS-D0446, Dihydro-2H-thiopyran-3(4H);-one, ZINC5133379, MFCD00040796, AKOS005216398, DS-2769, MCULE-1649390503, PB28980, KS-0000050C, AJ-53235, AK112945, CJ-12451, 5,6-Dihydro-2(H)-thiopyran-3(4H)-one, 4CH-010527, AM20090115, FT-0660742, ST24024733, Z4344, EN300-62419, Q-2082, A813454, InChI=1/C5H8OS/c6-5-2-1-3-7-4-5/h1-4H, Z1270630948, C5H8OS, CID140474, 2-[(1,1-Dioxidotetrahydro-3-thienyl)amino]ethanol hydrochloride,

Complexity	80.1
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	0.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number