AG003DCP

622-20-8 | 1,2-Bis(phenylthio)ethane

AG003DCP

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CAS Number	622-20-8
Catalog Number	AG003DCP(AGN-PC-0JL8Y3)
Chemical Name	1,2-Bis(phenylthio)ethane
EC Number	210-723-5
IUPAC Name	2-phenylsulfanylethylsulfanylbenzene
InChI	InChI=1S/C14H14S2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10H,11-12H2
InChI Key	MHCVYAFXPIMYRD-UHFFFAOYSA-N
MDL Number	MFCD00014085
Molecular Formula	C14H14S2
Molecular Weight	246.3910
NSC Number	21579
SMILES	C1(SCCSC2=CC=CC=C2)=CC=CC=C1
Synonyms	1,2-Bis(phenylthio)ethane, 622-20-8, Ethane, 1,2-bis(phenylthio)-, Bis(phenylthio)ethane, 1,1'-[ethane-1,2-diylbis(thio)]dibenzene, 2-phenylsulfanylethylsulfanylbenzene, EINECS 210-723-5, NSC 21579, Benzene, 1,1'-(1,2-ethanediylbis(thio))bis-, Benzene, 1,1'-[1,2-ethanediylbis(thio)]bis-, MFCD00014085, {[2-(phenylsulfanyl)ethyl]sulfanyl}benzene, 1,1'-(1,2-Ethanediylbis(thio))bis-benzene, 1,1'-(Ethane-1,2-diylbis(thio))bisbenzene, (2-phenylthioethylthio)benzene, NSC21579, AC1L2BLH, DSSTox_CID_4625, ACMC-209n0r, Ethane,2-bis(phenylthio)-, 1,2-Di(phenylthio) ethane, DSSTox_RID_77473, DSSTox_GSID_24625, 1,2-bis-(Phenylthio)ethane, CHEMBL70902, SCHEMBL776647, AC1Q7E02, DTXSID1024625, CTK5B4780, MHCVYAFXPIMYRD-UHFFFAOYSA-N, ZINC1583709, Tox21_201038, ANW-34105, NSC-21579, SBB040938, AKOS000268958, FS-3844, LS-1491, MCULE-7949675198, VZ20398, NCGC00091857-01, NCGC00091857-02, NCGC00091857-03, NCGC00258591-01, CAS-622-20-8, CJ-25181, Benzene,1'-[1,2-ethanediylbis(thio)]bis-, DB-054094, TC-122850, B3353, FT-0606312, ST50214549, ([2-(Phenylsulfanyl)ethyl]sulfanyl)benzene #, Benzene,1,1'-[1,2-ethanediylbis(thio)]bis-, 1,1'-(1,2-ETHANEDIYLBIS (THIO))BIS-BENZENE, I14-91656, KST-1B6633, C14H14S2, CID69317, AR-1B4209, C14-H14-S2, 1,1'-[ethane-1,2-diylbis(thio)]bisbenzene, 63257-31-8,

Complexity	150
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	246.054g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	246.386g/mol
Monoisotopic Mass	246.054g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	50.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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