AG003OBY

3561-67-9 | Bis(phenylthio)methane

AG003OBY

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CAS Number	3561-67-9
Catalog Number	AG003OBY(AGN-PC-0JLQH5)
Chemical Name	Bis(phenylthio)methane
EC Number	222-624-4
IUPAC Name	phenylsulfanylmethylsulfanylbenzene
InChI	InChI=1S/C13H12S2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h1-10H,11H2
InChI Key	ZHUPZVIALZHGGP-UHFFFAOYSA-N
MDL Number	MFCD00003067
Molecular Formula	C13H12S2
Molecular Weight	232.3644
NSC Number	65477
SMILES	C1(SCSC2=CC=CC=C2)=CC=CC=C1
Synonyms	Bis(phenylthio)methane, 3561-67-9, (Methylenebis(thio))bisbenzene, Formaldehyde diphenyl mercaptal, Bis(phenyithio)methane, MFCD00003067, [methylenebis(thio)]bisbenzene, phenylsulfanylmethylsulfanylbenzene, ZHUPZVIALZHGGP-UHFFFAOYSA-N, Diphenylthiomethane, C13H12S2, NSC65477, EINECS 222-624-4, phenylsulfanyl-methylsulfanyl-benzene, Bis(thiophenoxy)methane, Benzene, 1,1'-[methylenebis(thio)]bis-, AC1L2SCU, AC1Q7E0B, (phenylthiomethylthio)benzene, ACMC-1CS68, NCIOpen2_003405, SCHEMBL777671, [(phenylthio)methylthio]benzene, Formaldehyde diphenyl mercapatal, CTK4H4967, ZHUPZVIALZHGGP-UHFFFAOYSA-, DTXSID20189083, ZINC162210, KS-00000VO5, ZX-AT022170, 1-{[(phenylthio)methyl]thio}benzene, 1489AE, ANW-28251, NSC-65477, STK331044, 1,1'-(methylenebis(thio))bisbenzene, AKOS015840602, MCULE-6534556960, OR26246, 1,1'-(methanediyldisulfanediyl)dibenzene, Benzene,1,1'-[methylenebis(thio)]bis-, {[(phenylsulfanyl)methyl]sulfanyl}benzene, ACM3561679|1, CC-24784, SC-46676, ZB007815, Bis(phenylthio)methane, >=98.0% (GC), DB-022681, TR-031128, ([(Phenylsulfanyl)methyl]sulfanyl)benzene #, FT-0623088, ST50319396, C-13610, S14-1249, InChI=1/C13H12S2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h1-10H,11H2, KST-1A4275, CID77097, AR-1A7719, C13-H12-S2, Benzene, 1,1'-(methylenebis(thio))bis-, Bis(phenylthio)methane, 97% - 25G 25g, B1444, 367-57-7,

Complexity	140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	232.038g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	232.359g/mol
Monoisotopic Mass	232.038g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	50.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code	UN 3335

Certificate of Analysis

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