AG003DAX

447463-65-2 | 1,2,4,5-Tetrakis(tert-butylthio)benzene

AG003DAX

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CAS Number	447463-65-2
Catalog Number	AG003DAX(AGN-PC-0RT8JL)
Chemical Name	1,2,4,5-Tetrakis(tert-butylthio)benzene
IUPAC Name	1,2,4,5-tetrakis(tert-butylsulfanyl)benzene
InChI	InChI=1S/C22H38S4/c1-19(2,3)23-15-13-17(25-21(7,8)9)18(26-22(10,11)12)14-16(15)24-20(4,5)6/h13-14H,1-12H3
InChI Key	LOCUYYPERSWXJI-UHFFFAOYSA-N
MDL Number	MFCD08276431
Molecular Formula	C22H38S4
Molecular Weight	430.7971
SMILES	CC(SC1=C(SC(C)(C)C)C=C(SC(C)(C)C)C(SC(C)(C)C)=C1)(C)C
Synonyms	1,2,4,5-Tetrakis(tert-butylthio)benzene, 447463-65-2, 1,2,4,5-Tetra-t-butylthiobenzene, 1,2,4,5-tetrakis(tert-butylsulfanyl)benzene, Benzene,1,2,4,5-tetrakis[(1,1-dimethylethyl)thio]-, AK-76714, PubChem15766, ACMC-209jzt, SCHEMBL15427733, CTK4I8444, KS-00000LWU, DTXSID30473329, LOCUYYPERSWXJI-UHFFFAOYSA-N, ACT05927, C22H38S4, ANW-30183, MFCD08276431, ZINC26897745, 1,2,4,5-tetra-tert-butylthiobenzene, AKOS015919337, GS-3955, RTX-012789, VZ20363, ACM447463652, AJ-83138, BR-76714, CJ-17628, AB0024975, ST2414736, 4CH-014383, FT-0659693, W6348, S-3121, T60043, A826677, S09-0055, 1,2,4,5-TETRAKIS BENZENE, CID11812054, T2217, 1,2,4,5-Tetrakis(tert-butylthio)benzene, 97% - 1g 1g,

Complexity	349
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	430.186g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	430.786g/mol
Monoisotopic Mass	430.186g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	101A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.9

GHS Hazard and Precautionary Statements

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

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