AG003O4K

831-91-4 | Benzyl phenyl sulfide

AG003O4K

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CAS Number	831-91-4
Catalog Number	AG003O4K(AGN-PC-0JKB2D)
Chemical Name	Benzyl phenyl sulfide
EC Number	212-612-7
IUPAC Name	benzylsulfanylbenzene
InChI	InChI=1S/C13H12S/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10H,11H2
InChI Key	LKMCJXXOBRCATQ-UHFFFAOYSA-N
MDL Number	MFCD00003066
Molecular Formula	C13H12S
Molecular Weight	200.2994
NSC Number	56472
SMILES	C1(SCC2=CC=CC=C2)=CC=CC=C1
Synonyms	BENZYL PHENYL SULFIDE, 831-91-4, Benzyl(phenyl)sulfane, benzylsulfanylbenzene, Phenyl benzyl sulfide, Benzylphenylsulfide, Benzyl phenyl sulphide, (benzylsulfanyl)benzene, Sulfide, benzyl phenyl, Benzene, [(phenylmethyl)thio]-, benzylphenyl sulfide, (phenylmethylthio)benzene, 1,2-Diphenyl-1-thiaethane, LKMCJXXOBRCATQ-UHFFFAOYSA-N, MFCD00003066, Benzylthiobenzene, (Benzylthio)benzene, benzylphenylthioether, EINECS 212-612-7, NSC 56472, PubChem13528, ACMC-209pri, (phenylmethylsulfanyl)benzene, SCHEMBL332623, AC1L21D3, Sulfide, benzyl phenyl (8CI), KS-00000UYQ, LKMCJXXOBRCATQ-UHFFFAOYSA-, DTXSID50232172, [(Phenylsulfanyl)methyl]benzene #, NSC56472, ZINC1687431, ANW-37660, NSC-56472, STL289235, AKOS005207312, GS-3129, MCULE-8425906634, RP25799, RTR-025921, TRA0026320, VZ31363, Benzene, ((phenylmethyl)thio)- (9CI), AJ-29900, AK116684, AN-47757, CJ-27929, I407, SC-46598, AB1004119, DB-056692, TR-025921, B0127, FT-0622780, ST24030161, ST50406348, A840523, I09-1502, InChI=1/C13H12S/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10H,11H2, 2-hydroxyethylacetate, C13H12S, Benzene, ((phenylmethyl)thio)-, CID13255, C13-H12-S,

Complexity	143
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.066g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	200.299g/mol
Monoisotopic Mass	200.066g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	25.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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