AG00BFK0

2688-96-2 | 2-Phenylthiophenol

AG00BFK0

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CAS Number	2688-96-2
Catalog Number	AG00BFK0(AGN-PC-0KKNXK)
Chemical Name	2-Phenylthiophenol
IUPAC Name	2-phenylbenzenethiol
InChI	InChI=1S/C12H10S/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H
InChI Key	UECUPGFJVNJNQA-UHFFFAOYSA-N
MDL Number	MFCD03840407
Molecular Formula	C12H10S
Molecular Weight	186.2728
SMILES	SC1=CC=CC=C1C2=CC=CC=C2
Synonyms	2-Phenylthiophenol, 2688-96-2, 2-phenylbenzenethiol, [1,1'-Biphenyl]-2-thiol, biphenyl-2-thiol, 2-mercaptobiphenyl, [1,1'-Biphenyl]thiol, J-650188, biphenyl thiol, PubChem16420, 2-phenylbenzene-1-thiol, AC1MC2MF, SCHEMBL164357, CTK1A1520, DTXSID00375144, UECUPGFJVNJNQA-UHFFFAOYSA-N, ZINC4269985, FCH922581, AKOS006343308, ACM2688962, VZ25170, CC-11858, SC-27754, DB-047041, AM20040058, FT-0634445, 688P962, A818655, C-07542, I09-1616, ACN-036909, CID2760413,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.05g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	186.272g/mol
Monoisotopic Mass	186.05g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H312-H314-H332
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3261

Certificate of Analysis

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