AG006IYT

666752-97-2 | (3,4-Difluorophenyl)methanethiol

AG006IYT

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CAS Number	666752-97-2
Catalog Number	AG006IYT(AGN-PC-0KKON6)
Chemical Name	(3,4-Difluorophenyl)methanethiol
IUPAC Name	(3,4-difluorophenyl)methanethiol
InChI	InChI=1S/C7H6F2S/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2
InChI Key	PMVFMBMIMRXHDS-UHFFFAOYSA-N
MDL Number	MFCD06798020
Molecular Formula	C7H6F2S
Molecular Weight	160.1843
SMILES	FC1=C(F)C=C(CS)C=C1
Synonyms	(3,4-difluorophenyl)methanethiol, 666752-97-2, AC1MC4XD, 3,4-Difluorobenzyl mercaptan, SCHEMBL4083143, CTK5C5039, DTXSID80375768, PMVFMBMIMRXHDS-UHFFFAOYSA-N, ZINC4244664, GEO-01068, MFCD06798020, (3,4-difluorophenyl)methane-1-thiol, AKOS005257678, MCULE-5941364585, 3,4-difluorobenzyl mercaptan, AldrichCPR, AK190698, BENZENEMETHANETHIOL, 3,4-DIFLUORO-, ST51042221, ZINC04244664, CID2761428, Benzenemethanethiol, 3,4-difluoro- (9CI),

Complexity	108
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.016g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	160.182g/mol
Monoisotopic Mass	160.016g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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