AG003OEF

97-18-7 | 2,​2'-​Thiobis[4,​6-​dichlorophenol]​

AG003OEF

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CAS Number	97-18-7
Catalog Number	AG003OEF(AGN-PC-0JK68E)
Chemical Name	2,​2'-​Thiobis[4,​6-​dichlorophenol]​
EC Number	202-565-0
IUPAC Name	2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol
InChI	InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H
InChI Key	JFIOVJDNOJYLKP-UHFFFAOYSA-N
MDL Number	MFCD00055727
Molecular Formula	C12H6Cl4O2S
Molecular Weight	356.0518
SMILES	S(C1=C(C(=CC(=C1)Cl)Cl)O)C1=C(C(=CC(=C1)Cl)Cl)O
UN Number	2811
UNII	AMT77LS62O
Synonyms	Bithionol, Bitin, bithionol, 97-18-7, Actamer, 2,2'-Thiobis(4,6-dichlorophenol), Bithin, Lorothidol, Bitionol, Bithionol sulfide, Bidiphen, Bisoxyphen, Lorothiodol, Bitin, Bithionolate, Neopellis, Nobacter, Vancide BL, Usaf B-22, Bithional, Bithionolum, 2-Hydroxy-3,5-dichlorophenyl sulfide, Bis(2-hydroxy-3,5-dichlorophenyl) sulfide, TKhsd, Bis(3,5-dichloro-2-hydroxyphenyl) sulfide, 2,2'-sulfanediylbis(4,6-dichlorophenol), Caswell No. 852, Bitionol [INN-Spanish], XL 7, Bithionolum [INN-Latin], 2,2'-Dihydroxy-3,3',5,5'-tetrachlorodiphenyl sulfide, Prevenol, 2-Hydroxy-3,5-dichlorophenyl sulphide, CP 3438, D 26, NCI-C60628, UNII-AMT77LS62O, C12H6Cl4O2S, NSC 47129, Phenol, 2,2'-thiobis[4,6-dichloro-, CCRIS 2043, HSDB 6380, EINECS 202-565-0, EPA Pesticide Chemical Code 064201, Phenol, 2,2'-thiobis(4,6-dichloro-, BRN 2003535, AMT77LS62O, 2,2'-Dihydroxy-3,3',5,5'-tetrachlorodiphenylsulfide, AI3-50518, MLS000028403, CHEBI:3131, XL-7, 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol, 2,2'-Thiobis[4,6-dichlorophenol], MFCD00055727, 2,2'-Thio-bis(4,6-dichlorophenol), NCGC00018163-06, SMR000058374, 2,4-dichloro-6-(3,5-dichloro-2-hydroxy-phenyl)sulfanyl-phenol, DSSTox_CID_1342, DSSTox_RID_76096, DSSTox_GSID_21342, Q-200730, Phenol,2'-thiobis[4,6-dichloro-, WLN: QR BG DG FSR BQ CG EG, 2,3',5,5'-tetrachlorodiphenyl sulfide, CAS-97-18-7, 6-(3,5-dichloro-2-hydroxyphenylthio)-2,4-dichlorophenol, Bithionol [INN:BAN:JAN], Bithionol [INN:BAN:JAN:NF], B1T, Bithin (TN), Spectrum_000088, Bithionol (JAN/INN), AC1L1DLT, Spectrum2_000113, Spectrum3_000319, Spectrum4_000257, Spectrum5_000922, cid_2406, PHENOL, 2,2'-THIOBIS(4,6-DICHLORO)-, Oprea1_473080, REGID_for_CID_2406, SCHEMBL64385, BSPBio_001918, KBioGR_000694, KBioSS_000508, ARONIS27111, DivK1c_000639, SPBio_000126, ACMC-209s88, CHEMBL290106, GTPL2338, Bithionol, >=98% (HPLC), DTXSID9021342, BDBM36880, CTK8B2783, HMS501P21, JFIOVJDNOJYLKP-UHFFFAOYSA-, KBio1_000639, KBio2_000508, KBio2_003076, KBio2_005644, KBio3_001418, NSC9872, JFIOVJDNOJYLKP-UHFFFAOYSA-N, NINDS_000639, KUC106451N, ZINC608213, 2,2-thiobis(4,6-dichlorophenol), KS-000048LK, NSC-9872, NSC47129, Tox21_110832, Tox21_200384, Tox21_302919, 6068AF, A1B988, ANW-40854, NSC-47129, s4552, SBB071906, STL257451, 2,2'-Thiobis (4,6-dichlorophenol), 2,2'-Thiobis-(4,6-dichlorophenol), AKOS015856712, Tox21_110832_1, CS-3874, DB04813, KSC-19-055, LS-2022, MCULE-6591279983, RTR-030210, IDI1_000639, QTL1_000014, NCGC00018163-01, NCGC00018163-02, NCGC00018163-03, NCGC00018163-04, NCGC00018163-05, NCGC00018163-07, NCGC00018163-08, NCGC00018163-09, NCGC00018163-10, NCGC00021272-04, NCGC00021272-05, NCGC00021272-06, NCGC00256573-01, NCGC00257938-01, AK546901, AN-42826, HY-17592, SC-46723, ZB014602, SBI-0051298.P003, TL8006856, TR-030210, FT-0707601, ST45027186, bis (2-hydroxy-3,5-dichlorophenyl)-sulphide, Bithionol, VETRANAL(TM), analytical standard, A14941, C07967, D00802, BIS(2-HYDROXY-3,5-DICHLOROPHENYL)SULFIDE, I09-1509, BRD-K39120595-304-03-9, 2,4-dichloro- 6-(3,5-dichloro- 2-hydroxyphenyl)sulfanylphenol, 2,4-dichloro-6-[(3,5-dichloro-2-hydroxy-phenyl)thio]phenol, 2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)thio]phenol, 2-[3,5-bis(chloranyl)-2-oxidanyl-phenyl]sulfanyl-4,6-bis(chloranyl)phenol, InChI=1/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H, bithionol-, Bisoprolol fumarate, 2,6-dichlorophenol), D0QQ1J, C12-H6-Cl4-O2-S, CID2406, NA2811, UN2811, Fenol, 2,2'-tiobis [4,6-dicloro-, 2,2'-THIOBIS-4,6-DICHLORO-PHENOL, T0865, 4-06-00-05646 (Beilstein Handbook Reference), PHENOL,2,2'-THIOBIS(4,6-DICHLORO-, TBP, D001735, 1394-04-3,

Complexity	282
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	355.881g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	356.038g/mol
Monoisotopic Mass	353.884g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	65.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302
Packing Group	Ⅱ
Precautionary statements	P301+P312+P330
UN Code	UN 2811

Certificate of Analysis

Lot Number