AG002DJY

201611-77-0 | Benzenecarbodithioic acid, 1-methyl-1-phenylethyl ester

AG002DJY

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CAS Number	201611-77-0
Catalog Number	AG002DJY(AGN-PC-0NFB57)
Chemical Name	Benzenecarbodithioic acid, 1-methyl-1-phenylethyl ester
IUPAC Name	2-phenylpropan-2-yl benzenecarbodithioate
InChI	InChI=1S/C16H16S2/c1-16(2,14-11-7-4-8-12-14)18-15(17)13-9-5-3-6-10-13/h3-12H,1-2H3
InChI Key	KOBJYYDWSKDEGY-UHFFFAOYSA-N
MDL Number	MFCD18252676
Molecular Formula	C16H16S2
Molecular Weight	272.4282
SMILES	S=C(c1ccccc1)SC(c1ccccc1)(C)C
Synonyms	cumyl dithiobenzoate, 201611-77-0, 2-Phenylpropan-2-yl benzodithioate, Cumyl dithiobenzoate, 2-Phenyl-2-propyl benzodithioate, Benzenecarbodithioic acid, 1-methyl-1-phenylethyl ester, SCHEMBL164092, 2-Phenyl-2-propylbenzodithiolate, 2-Phenylpro-2-yl dithiobenzoate, CTK0J9323, 2-Phenylprop-2-yl dithiobenzoate, DTXSID50453981, KOBJYYDWSKDEGY-UHFFFAOYSA-N, KS-00000U4U, MFCD18252676, ZINC71773498, AKOS025395415, alpha,alpha-Dimethylbenzyl dithiobenzoate, AK622300, DS-19835, (1-Methyl-1-phenyl-ethyl) benzenecarbodithioate, 2-Phenyl-2-propyl benzodithioate, 99% (HPLC), 2-PHENYLPROPAN-2-YL BENZENECARBODITHIOATE, Benzenecarbodithioic acid 1-methyl-1phenylethyl ester, CID11065602, Phenyl-(2-phenylpropan-2-ylsulfanyl)methanethione,

Complexity	271
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	272.069g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	272.424g/mol
Monoisotopic Mass	272.069g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	57.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H410
Precuationary statements	P273
Siginal words

Certificate of Analysis

Lot Number