AG002THL

26504-29-0 | Carbonotrithioic acid, bis(phenylmethyl) ester

AG002THL

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CAS Number	26504-29-0
Catalog Number	AG002THL(AGN-PC-0JOB46)
Chemical Name	Carbonotrithioic acid, bis(phenylmethyl) ester
EC Number	460-390-7
IUPAC Name	bis(benzylsulfanyl)methanethione
InChI	InChI=1S/C15H14S3/c16-15(17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChI Key	LAKYXBYUROTWBI-UHFFFAOYSA-N
MDL Number	MFCD12911902
Molecular Formula	C15H14S3
Molecular Weight	290.4667
NSC Number	33081
SMILES	S=C(SCC1=CC=CC=C1)SCC2=CC=CC=C2
Synonyms	26504-29-0, S,S-Dibenzyl trithiocarbonate, dibenzyl carbonotrithioate, bis(benzylsulfanyl)methanethione, S,S-DIBENZYLTRITHIOCARBONATE, Carbonotrithioic acid, bis(phenylmethyl) ester, Carbonotrithioic acid,bis(phenylmethyl) ester, NSC33081, dibenzyl trithiocarbonate, AC1Q1HGJ, AC1L5R4F, Trithiocarbonic acid dibenzyl, SCHEMBL161188, CTK4F8023, S,S-Dibenzyl trithiocarbonate 97%, ZINC1665400, MFCD12911902, NSC-33081, S,S-Dibenzyl trithiocarbonate, 97%, AKOS025243359, SC10809, TRA0025325, TX-013356, bis methanethione, AR-1I3927, CID233929, Dibenzyl trithiocarbonate (High Purity), 3198-23-0,

Complexity	216
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	290.026g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	290.457g/mol
Monoisotopic Mass	290.026g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	82.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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