2,4-Difluorothiobenzamide

CAT: 0024-sc-266084Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-266084Size:1 g

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CAS Number

175276-92-3

Chemical Information

2,4-Difluorobenzene-1-carbothioamide

CAS Number	175276-92-3
PubChem CID	2781868
IUPAC Name	2,4-difluorobenzenecarbothioamide
Molecular Formula	C7H5F2NS
Molecular Weight	173.19
XLogP	1.6
Topological Polar Surface Area	58.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	163

SMILES

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

InChI

InChI=1S/C7H5F2NS/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H2,10,11)

InChIKey

MOHAZBCWHUCIEX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 175276-92-3

CID: 2781868

Formula: C7H5F2NS

MW: 173.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	173.19
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	173.01107666
Monoisotopic Mass	173.01107666
Topological Polar Surface Area	58.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	163
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
sc-474953	2,2',4,4'-Tetramethylbenzophenone
sc-265948	2,2,4,4-Tetramethylpentane
sc-213935	2,2',4,4'-Tetranitrodiphenylmethane
sc-213934	2,2',4,4'-Tetranitrobenzophenone
sc-474043	2,2,4,4-Tetramethyloctane
sc-225586	2,2',4,4'-Tetrahydroxybenzophenone
sc-506837	2- (2,2,3,4,4,4-Hexafluorobutoxy) ethanol
sc-474888	Trimethylhexamethylene Diisocyanate (2,2,4- and 2,4,4- mixture)
sc-251348	Trimethyl 2,2':6',2"-terpyridine-4,4',4"-tricarboxylate
sc-358167	Ethyl 2,2-dimethyl-4,4,4-trifluorobutyrate

Catalog	Name
PC32594-01	2,4-Difluorothiobenzamide
FD36174	3,5-Difluorothiobenzamide
PC1008376-01	2,2,2-Trifluoroethyl 4,4,4-trifluorobutyrate
FT66823-01	2,2',4,4'-Tetramethylbenzophenone
T3000	2,2’,4,4’-Tetranitrobenzophenone
OR1004938-01	2,2',4,4'-Tetranitrodiphenylmethane
OR948311	2,2,4,4-Tetramethylcyclopentanone
419555-01	2,2′,4,4′-Tetrahydroxybenzophenone
290090-01	2,2',4,4'-Tetranitrobenzophenone
AR-O01033-01	2,2,4,4-Tetramethyloctane