2,4-Difluorobenzenethiol

CAT: 0926-FD61254-01Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-FD61254-01Size:10 g

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CAS Number

1996-44-7

Synonyms

2,4-Difluorothiophenol

MDL Number

MFCD00203477

Smiles

C1=CC (=C (C=C1F) F) S

Molecular Formula

C6H4F2S

Molecular Weight

146.16 g/mol

Controlled

Chemical Information

2,4-Difluorobenzene-1-thiol

CAS Number	1996-44-7
PubChem CID	2737073
IUPAC Name	2,4-difluorobenzenethiol
Molecular Formula	C6H4F2S
Molecular Weight	146.16
XLogP	2.5
Topological Polar Surface Area	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	97

SMILES

C1=CC(=C(C=C1F)F)S

InChI

InChI=1S/C6H4F2S/c7-4-1-2-6(9)5(8)3-4/h1-3,9H

InChIKey

BICHBFCGCJNCAT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1996-44-7

CID: 2737073

Formula: C6H4F2S

MW: 146.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	146.16
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	146.00017763
Monoisotopic Mass	146.00017763
Topological Polar Surface Area	1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	97.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
ZDC71682-01	4-Bromo-2,3-difluorobenzenethiol
FT55663-01	2,2',4,4'-tetrahydroxybenzophenone
FT66823-01	2,2',4,4'-Tetramethylbenzophenone
CAA43779-01	2,2',4,4'-Tetrachlorobiphenyl
LCD08774-01	4,4,4-Trifluoro-2,2-dimethylbutanal
DBA67916-01	Trimethylhexamethylene Diisocyanate (2,2,4- and 2,4,4- mixture)
FT29044-01	2,2':6',2'-Terpyridine-4,4',4''-tricarboxylic acid
FT76517-01	2,2,4 (or 2,4,4) -Trimethyl-1,6-hexanediamine
FAA90485-01	2-[4- (2,4,4-Trimethylpentan-2-yl) phenoxymethyl]oxirane
AAA47241	4- (2,2,4-Trimethylchroman-4-yl) phenol

Catalog	Name
274661-01	2,4-Difluorobenzenethiol
274662-01	3,4-Difluorobenzenethiol
PC1010587	4-Bromo-2,3-difluorobenzenethiol
sc-275406	2,5-difluorobenzenethiol
PC1004997-01	2,6-Difluorobenzenethiol
PC1023489-01	2,3-Difluorobenzenethiol
PC1013374-01	3-Chloro-2,6-difluorobenzenethiol
PC1008376-01	2,2,2-Trifluoroethyl 4,4,4-trifluorobutyrate
419555-01	2,2′,4,4′-Tetrahydroxybenzophenone
290091-01	2,2',4,4'-Tetranitrodiphenylmethane