AG003EZ2

63547-22-8 | 2-(Benzhydrylthio)acetic acid

AG003EZ2

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CAS Number	63547-22-8
Catalog Number	AG003EZ2(AGN-PC-0BSKB5)
Chemical Name	2-(Benzhydrylthio)acetic acid
IUPAC Name	2-benzhydrylsulfanylacetic acid
InChI	InChI=1S/C15H14O2S/c16-14(17)11-18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,16,17)
InChI Key	HTHFEDOFDBZPRX-UHFFFAOYSA-N
MDL Number	MFCD05262040
Molecular Formula	C15H14O2S
Molecular Weight	258.3355
SMILES	O=C(O)CSC(C1=CC=CC=C1)C2=CC=CC=C2
Synonyms	63547-22-8, 2-(benzhydrylthio)acetic acid, 2-[(Diphenylmethyl)thio]acetic acid, Benzhydrylsulfanyl acetic acid, (benzhydrylthio)acetic acid, Acetic acid, [(diphenylmethyl)thio]-, 2-[(diphenylmethyl)sulfanyl]acetic acid, 2-[(diphenylmethyl) thio] acetic acid, AK-79038, EN300-08898, 2-benzhydrylsulfanylacetic Acid, PubChem19975, AC1M0JC4, 2-(Benzhydrylthio)aceticAcid, (benzhydrylsulfanyl)acetic acid, (Diphenylmethylthio)acetic Acid, ACE028, SCHEMBL2577670, CTK5B9443, 2-(diphenylmethylthio)acetic acid, DTXSID30366464, HTHFEDOFDBZPRX-UHFFFAOYSA-N, HMS1766C11, AC1Q7699, KS-00000CS1, ZINC2616117, ANW-66262, KM0756, MFCD05262040, RW2766, SBB063032, AKOS000116816, AC-8094, Acetic acid,2-[(diphenylmethyl)thio]-, AF-0005, MCULE-7142155605, VZ31285, 2-[(diphenylmethyl)sulfenyl]acetic acid, TRA-0206506, AJ-44066, BC209167, CC-24325, O876, SC-54209, SY018115, AB0007120, AX8015926, DB-049837, TC-155007, B4175, CS-0008363, FT-0640895, ST24039535, MFCD05262040 (97+%), 547B228, SR-01000050233, I01-0138, SR-01000050233-1, Z19691345, C15H14O2S, CID2077886, 108166-02-5,

Complexity	237
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258.071g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	258.335g/mol
Monoisotopic Mass	258.071g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	62.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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