AG00330D

40018-26-6 | 1,4-Dithiane-2,5-diol

AG00330D

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CAS Number	40018-26-6
Catalog Number	AG00330D(AGN-PC-0JM2YW)
Chemical Name	1,4-Dithiane-2,5-diol
EC Number	254-751-6
FEMA Number	3826
IUPAC Name	1,4-dithiane-2,5-diol
InChI	InChI=1S/C4H8O2S2/c5-3-1-7-4(6)2-8-3/h3-6H,1-2H2
InChI Key	YUIOPHXTILULQC-UHFFFAOYSA-N
MDL Number	MFCD00006659
Molecular Formula	C4H8O2S2
Molecular Weight	152.2351
NSC Number	106280
SMILES	S1C(CSC(C1)O)O
Synonyms	1,4-dithiane-2,5-diol, 1,4-Dithiane-2,5-diol, 40018-26-6, p-Dithiane-2,5-diol, 2,5-Dihydroxy-1,4-dithiane, Mercaptoacetaldehyde dimer, 4-dithiane-2,5-diol, MFCD00006659, [1,4]dithiane-2,5-diol, 2,5-Dihydroxy-1,4-dithian, YUIOPHXTILULQC-UHFFFAOYSA-N, p-Dithiane-2,5-diol, 96%, C4H8O2S2, EINECS 254-751-6, P-Dthane-2,5-dol, PubChem20480, 1,4dithiane-2,5diol, ACMC-1ANME, AC1Q7ARC, 1,4-dithian-2,5-diol, EC 254-751-6, 1,4 dithiane-2,5 diol, 1,4 dithiane-2,5-diol, AC1Q7AS2, KSC237A8F, SCHEMBL140548, [1,4]-dithiane-2,5-diol, AC1L403A, CTK1D7082, FEMA 3826, KS-00000MOT, 1,4-Dithiane-2,5-diol, 97%, ANW-29252, BBL018409, NSC106280, SBB057060, STL185668, AKOS000119056, AC-5633, AN-1045, CS-W018087, MCULE-1661511057, NE24337, NSC-106280, RL03529, RP21650, RTR-015960, TRA0084016, AK-45562, BR-45562, SC-22410, AB0006391, AB1004108, DB-000131, ST2413651, TR-015960, D1761, FT-0610379, ST50824371, EN300-18984, A825806, 1,4-Dithiane-2,5-diol, technical, >=90% (S), I09-0145, J-523875, 2,5-Dihydroxy-1,4-dithiane; Mercaptoacetaldehyde dimer, F0001-1126, 2,5-Dihydroxy-1,4-dithiane, mixture of isomers, >=97%, FG, 1,4-Dithiane-2,5-diol, produced by Wacker Chemie AG, Burghausen, Germany, >=96% (GC), Dithian, dhdt, mercapto acetaldehyde, UNII-R4F79F1JB0, 2,5-Dimethyl-1,4-dithiane, R4F79F1JB0, KST-1B4190, C4-H8-O2-S2, CID98330, AR-1B7893, ACN-051530, 422-04-8, 2,5-Dihydroxy-1,4-dithiane, 97%, mixture of isomers - 100G 100g, 1031-93-2,

Complexity	68.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	151.997g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	152.226g/mol
Monoisotopic Mass	151.997g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	91.1A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3335

Certificate of Analysis

Lot Number