AG003FX9

5858-18-4 | 2,5-Dichlorobenzenethiol

AG003FX9

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CAS Number	5858-18-4
Catalog Number	AG003FX9(AGN-PC-0JLSCT)
Chemical Name	2,5-Dichlorobenzenethiol
EC Number	227-486-9
IUPAC Name	2,5-dichlorobenzenethiol
InChI	InChI=1S/C6H4Cl2S/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
InChI Key	QIULLHZMZMGGFH-UHFFFAOYSA-N
MDL Number	MFCD00004831
Molecular Formula	C6H4Cl2S
Molecular Weight	179.0670
NSC Number	49350
SMILES	SC1=CC(Cl)=CC=C1Cl
Synonyms	2,5-Dichlorothiophenol, 2,5-Dichlorobenzenethiol, 5858-18-4, 2,5-dichlorobenzene-1-thiol, Benzenethiol, 2,5-dichloro-, 2,5-Dichloro thiophenol, Thiophenol, 2,5-dichloro-, 2,5-dichlorophenylmercaptan, QIULLHZMZMGGFH-UHFFFAOYSA-N, MFCD00004831, NSC49350, EINECS 227-486-9, NSC 49350, PubChem6801, Thiophenol,5-dichloro-, 2,5-dichlorobenzenthiol, 2,5-dichloro-thiophenol, Benzenethiol,5-dichloro-, ACMC-1AL9E, AC1L2YH9, SCHEMBL691334, DTXSID6064034, 2,5-Dichlorobenzenethiol, 98%, CTK3J1395, ZINC152966, KS-000012NE, ANW-32988, NSC-49350, SBB066528, AKOS001387664, MCULE-1683466279, PS-8553, RP03137, RTR-020354, TRA0100333, VZ22709, AC-10696, SC-46626, DB-020061, TL8006737, TR-020354, D1145, FT-0610337, ST51039905, Y-8607, W-105379, Z56941088, C6-H4-Cl2-S, CID79965, 2,5-Dichlorobenzenethiol, 98% - 5G 5g,

Complexity	97.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.941g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	179.058g/mol
Monoisotopic Mass	177.941g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2810

Certificate of Analysis

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