AG001ZC4

17396-35-9 | 4H-Thiopyran-4-one, tetrahydro-, 1,1-dioxide

AG001ZC4

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CAS Number	17396-35-9
Catalog Number	AG001ZC4(AGN-PC-0JNX5I)
Chemical Name	4H-Thiopyran-4-one, tetrahydro-, 1,1-dioxide
IUPAC Name	1,1-dioxothian-4-one
InChI	InChI=1S/C5H8O3S/c6-5-1-3-9(7,8)4-2-5/h1-4H2
InChI Key	XFMQGQAAHOGFQS-UHFFFAOYSA-N
MDL Number	MFCD00460698
Molecular Formula	C5H8O3S
Molecular Weight	148.1802
NSC Number	95668
SMILES	O=C1CCS(=O)(=O)CC1
Synonyms	17396-35-9, 1,1-Dioxo-tetrahydro-thiopyran-4-one, 4-Tetrahydrothiopyranone 1,1-dioxide, Tetrahydrothiopyran-4-one 1,1-dioxide, Tetrahydro-4H-thiopyran-4-one 1,1-dioxide, Dihydro-2H-thiopyran-4(3H)-one 1,1-dioxide, Tetrahydrothiopyran-4-one S,S-dioxide, 4-Thiacyclohexanone dioxide, 1,1-dioxothian-4-one, 4H-Thiopyran-4-one, tetrahydro-, 1,1-dioxide, 1??-thiane-1,1,4-trione, XFMQGQAAHOGFQS-UHFFFAOYSA-N, 4-Tetrahydrothiopyranone1,1-Dioxide, BAS 01062707, NSC95668, PubChem18746, AC1Q1ICA, AC1Q6ESV, 1,1-dioxo-thian-4-one, NCIOpen2_001700, SCHEMBL190281, 1lambda-thiane-1,1,4-trione, CHEMBL3120858, 1lambda6-thiane-1,1,4-trione, CTK3J6362, DTXSID60294266, HMS1677B08, 1,1-dioxotetrahydrothiopyran-4-one, AC1L6719, ACT04666, ALBB-011930, BCP08509, KS-00000OV7, ZINC1621344, 1$l^{6}-thiane-1,1,4-trione, 1lambda~6~-Thiane-1,1,4-trione, tetrahydro-4-thiopyrone S,S-dioxide, 1,1-Dioxo-tetrahydrothiopyran-4-one, ANW-49631, MFCD00460698, NSC-95668, STK895330, AKOS000189516, CS-W004862, CT-1020, GS-5880, MCULE-5397121534, PB29083, RP08522, RTR-032307, AC-22439, AJ-28341, AK-33694, BC678839, BR-33694, CJ-05796, EN000906, SC-24237, 4-Oxotetrahydro-2H-thiopyran 1,1-dioxide, AB0022853, DB-027298, TL8001380, TR-032307, 4CH-001429, AM20090038, BB 0262812, FT-0649185, ST24023650, tetrahydro-1lambda6-thiopyran-1,1,4-trione, W3795, EN300-42287, D80200, dihydro-2H-thiopyran-4 (3H)-one 1,1-dioxide, S-3942, Tetrahydro-4H-thiopyran-4-one 1,1-dioxide #, 1,1-Dioxo-tetrahydro-1lambda*6*-thiopyran-4-one, 1,1-DIOXO-TETRAHYDRO-2H-THIOPYRAN-4-ONE, 396D359, H111598, W-206058, 2,3,5,6-tetrahydro-4H-thiopyran-4-one 1,1-dioxide, I14-12043, F8889-7317, Tetrahydrothiopyran-4-one, C5H8O3S, 4H-Thiopyran-4-one, 1,1-dioxide, AR-1G4751, CID262230, ?1,1-Dioxo-tetrahydro-thiopyran-4-one, M0053, T3320, 17479-06-0,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	148.019g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	148.176g/mol
Monoisotopic Mass	148.019g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	59.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number