AG003FZ7

55704-78-4 | Dimeric mercapto propanone

AG003FZ7

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CAS Number	55704-78-4
Catalog Number	AG003FZ7(AGN-PC-0JL4U9)
Chemical Name	Dimeric mercapto propanone
EC Number	259-770-3
FEMA Number	3450
IUPAC Name	2,5-dimethyl-1,4-dithiane-2,5-diol
InChI	InChI=1S/C6H12O2S2/c1-5(7)3-10-6(2,8)4-9-5/h7-8H,3-4H2,1-2H3
InChI Key	NHKIYYMFGJBOTK-UHFFFAOYSA-N
MDL Number	MFCD00010121
Molecular Formula	C6H12O2S2
Molecular Weight	180.2883
NSC Number	176174
SMILES	OC1(C)SCC(O)(C)SC1
Synonyms	2,5-Dimethyl-1,4-dithiane-2,5-diol, 55704-78-4, Dimeric mercapto propanone, 2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane, 2-Mercaptopropanone, 1,4-Dithiane-2,5-diol, 2,5-dimethyl-, 2,5-Dimethyl-2,5-dihydroxy-p-dithiane, 2,5-DIMETHYL-[1,4]DITHIANE-2,5-DIOL, 2,5-Dihydroxy-2,5-dimethyl-1,4-dithiane, 2,5-Dimethyl-p-dithiane-2,5-diol, FEMA No. 3450, dimericmercaptopropanone, EINECS 259-770-3, NSC 176174, 1-Mercaptopropanone (dimer), meaty dithiane, NSC176174, 2,5-Dimeth, Cyclodithalfarol-705, dimeric mercaptopropanone, AC1L1WHM, 1-Mercaptopropanone Dimer, DSSTox_CID_27683, DSSTox_RID_82500, DSSTox_GSID_47683, KSC489M6B, SCHEMBL140216, 1,5-diol, 2,5-dimethyl-, CHEMBL3181874, DTXSID3047683, CTK3I9660, FEMA 3450, NHKIYYMFGJBOTK-UHFFFAOYSA-N, BCP11208, EBD50355, KS-00000UQ3, Tox21_302432, ANW-41861, MFCD00010121, SBB071458, AKOS015950999, LS-2681, MCULE-7706791475, NSC-176174, TRA0028178, 2,5-Dimethyl-2,5-dioxy-1,4-dithian, NCGC00255320-01, AN-40277, AS-30449, SC-18484, ST094893, 2,5-Dimethyl-2,5-hydroxy-1,4-diathiane, AB1007237, CAS-55704-78-4, RT-003472, 2,5-Dimethyl-2, 5-dihydroxy-1,4-dithiane, D3785, FT-0610432, 04D784, Q-100642, 2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane, 95%, FG, 1-Mercaptopropanone (dimer); 2,5-Dihydroxy-2,5-dimethyl-1,4-dithiane; 2,5-Dimethyl-1,4-dithiane-2,5-diol; 2,5-Dimethyl-2,5-dihydroxy-p-dithiane, 146511-93-5, 2-Mercapto acetone, 2,5-Dihydroxy-1,4-dithiane, UNII-N99176196Z, CC1(O)CSC(C)(O)CS1, CID62105, C6-H12-O2-S2, N99176196Z, 2,5-DIMETHYL-2,5-DIHYDROXY-1,4-DISULFOCYCLOHEXANE,

Complexity	126
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.028g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	180.28g/mol
Monoisotopic Mass	180.028g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	91.1A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number