(3- (pentafluorothio) phenyl) methanamine

CAT: 0926-WFB57334-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-WFB57334-01Size:50 mg

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CAS Number

771573-34-3

MDL Number

MFCD06213674

Smiles

C1=CC (=CC (=C1) S (F) (F) (F) (F) F) CN

Molecular Formula

C7H8F5NS

Molecular Weight

233.2 g/mol

Controlled

Chemical Information

(3-(Pentafluorothio)phenyl)methanamine

CAS Number	771573-34-3
PubChem CID	66523498
IUPAC Name	[3-(pentafluoro-lambda6-sulfanyl)phenyl]methanamine
Molecular Formula	C7H8F5NS
Molecular Weight	233.20
XLogP	4
Topological Polar Surface Area	27
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	222

SMILES

C1=CC(=CC(=C1)S(F)(F)(F)(F)F)CN

InChI

InChI=1S/C7H8F5NS/c8-14(9,10,11,12)7-3-1-2-6(4-7)5-13/h1-4H,5,13H2

InChIKey

FJOVSWPDVAFUMX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 771573-34-3

CID: 66523498

Formula: C7H8F5NS

MW: 233.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	233.20
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	233.02976124
Monoisotopic Mass	233.02976124
Topological Polar Surface Area	27 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	222
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
ZEA28346-01	[3- (Dimethoxymethyl) phenyl]methanamine
RQB50913-01	(3-Methanesulfonylphenyl) (phenyl) methanamine
KKB26881-01	[3- (Ethylsulfanyl) phenyl]methanamine
DNB71749	[3- (Cyclopentyloxy) phenyl]methanamine
FCA09525-01	(3-Fluorophenyl) (phenyl) methanamine
TLB81095-01	[3- (Difluoromethyl) phenyl]methanamine
BXB55292-01	[3- (3-Methylphenyl) phenyl]methanamine
VTB02468-01	[3- (3-Methoxypropoxy) phenyl]methanamine
FO88944-01	4- (Pentafluorothio) phenol
YZB37163-01	Oxolan-3-yl (phenyl) methanamine

Catalog	Name
PC1026235-01	Phenyl (4- (trifluoromethyl) phenyl) methanamine
PC1026236-01	Phenyl (4- (trifluoromethyl) phenyl) methanamine hydrochloride
AL BW 0325-01	[4-[4- (aminomethyl) phenyl]phenyl]methanamine
RG-A263022-01	(4-Chlorophenyl) (Phenyl) Methanamine
JH916065	(3-Chlorophenyl) (phenyl) methanamine
OR1076796-01	(3- (Methylthio) Phenyl) Methanamine
OR1050317-01	Phenyl (p-tolyl) methanamine
PC101236-01	(4-Fluorophenyl) (phenyl) methanamine
sc-348352A	[4- (methanesulfonylmethyl) phenyl]methanamine
OR89957-01	(4- (Methylsulfonyl) phenyl) methanamine