AG0055UU

828-26-2 | 2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane

AG0055UU

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CAS Number	828-26-2
Catalog Number	AG0055UU(AGN-PC-0JKB1X)
Chemical Name	2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane
EC Number	212-582-5
FEMA Number	3475
IUPAC Name	2,2,4,4,6,6-hexamethyl-1,3,5-trithiane
InChI	InChI=1S/C9H18S3/c1-7(2)10-8(3,4)12-9(5,6)11-7/h1-6H3
InChI Key	NBNWHQAWKFYFKI-UHFFFAOYSA-N
MDL Number	MFCD00066341
Molecular Formula	C9H18S3
Molecular Weight	222.4342
SMILES	CC1(C)SC(C)(C)SC(C)(C)S1
UNII	L0ME5B2ZWY
Synonyms	Trithioacetone, 2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane, 828-26-2, 2,2,4,4,6,6-Hexamethyl-S-trithiane, Hexamethyl-1,3,5-trithiane, Hexamethyl-S-trithiane, 1,3,5-Trithiane, 2,2,4,4,6,6-hexamethyl-, S-Trithiane, hexamethyl-, UNII-L0ME5B2ZWY, BRN 0106323, FEMA No. 3475, s-TRITHIANE, 2,2,4,4,6,6-HEXAMETHYL-, EINECS 212-582-5, L0ME5B2ZWY, W-104159, Trithioaceton, tropical trithiane, ACMC-209pqi, AC1L21BI, DSSTox_CID_27712, DSSTox_RID_82522, DSSTox_GSID_47723, KSC650C1H, Trithioacetone, >=99%, FG, SCHEMBL2521113, CHEMBL3187896, DTXSID2047723, CTK5F0113, FEMA 3475, NBNWHQAWKFYFKI-UHFFFAOYSA-N, KS-000011EY, ZINC2040666, Tox21_302581, ANW-37624, MFCD00066341, AKOS015897635, FCH1319845, LS-3141, RTR-025869, VZ37001, NCGC00256688-01, AJ-33244, AK111512, AN-47737, CAS-828-26-2, CJ-07623, SY033151, AB1006007, FT-0656009, ST24027240, ST50825734, MFCD00066341 (97%), 1,3,5-Trithiane,2,2,4,4,6,6-hexamethyl-, 2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane #, A840454, I09-1165, 2,2,4,4,6,6-Hexamethyl-S-trithiane (trithioacetone), C9H18S3, CID13233, C9-H18-S3, Trithioacetone, 98% - 25G 25g, H1278, 5-19-09-00119 (Beilstein Handbook Reference),

Complexity	131
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.057g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	222.423g/mol
Monoisotopic Mass	222.057g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	75.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number