AG003N0H

80441-55-0 | 6-(Tritylthio)-hexanoic acid

AG003N0H

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CAS Number	80441-55-0
Catalog Number	AG003N0H(AGN-PC-03BTAM)
Chemical Name	6-(Tritylthio)-hexanoic acid
IUPAC Name	6-tritylsulfanylhexanoic acid
InChI	InChI=1S/C25H26O2S/c26-24(27)19-11-4-12-20-28-25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23/h1-3,5-10,13-18H,4,11-12,19-20H2,(H,26,27)
InChI Key	ILAPAFBLFPIIBL-UHFFFAOYSA-N
MDL Number	MFCD11226801
Molecular Formula	C25H26O2S
Molecular Weight	390.5377
SMILES	C(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)SCCCCCC(=O)O
Synonyms	6-(Tritylthio)-hexanoic acid, 80441-55-0, 6-(Tritylthio)hexanoic acid, 6-TRITYLMERCAPTO-HEXANOIC ACID, ACMC-20am0t, SCHEMBL34262, 6-Tritylsulfanyl-hexanoic acid, C25H26O2S, CTK3E7861, DTXSID70614436, 6031AH, KM2033, MFCD11226801, ZINC39959763, 6-(Tritylthio)-hexanoic acid, 97%, AKOS025404047, Hexanoicacid, 6-[(triphenylmethyl)thio]-, TC-168212, 6-[(TRIPHENYLMETHYL)SULFANYL]HEXANOIC ACID, A1-06760,

Complexity	400
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	390.165g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	390.541g/mol
Monoisotopic Mass	390.165g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	62.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number