[ (2-Fluorophenyl) sulfanyl]formonitrile

CAT: 0926-CAA60531-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-CAA60531-01Size:0.5 g

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CAS Number

2605-31-4

MDL Number

MFCD15209720

Smiles

C1=CC=C (C (=C1) F) SC#N

Molecular Formula

C7H4FNS

Molecular Weight

153.18 g/mol

Controlled

Chemical Information

[(2-Fluorophenyl)sulfanyl]formonitrile

CAS Number	2605-31-4
PubChem CID	47002807
IUPAC Name	(2-fluorophenyl) thiocyanate
Molecular Formula	C7H4FNS
Molecular Weight	153.18
XLogP	2.6
Topological Polar Surface Area	49.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	151

SMILES

C1=CC=C(C(=C1)F)SC#N

InChI

InChI=1S/C7H4FNS/c8-6-3-1-2-4-7(6)10-5-9/h1-4H

InChIKey

OKRQLNHVJHGNOQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2605-31-4

CID: 47002807

Formula: C7H4FNS

MW: 153.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	153.18
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	153.00484847
Monoisotopic Mass	153.00484847
Topological Polar Surface Area	49.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	151
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
DAA22637-01	[ (4-Chlorophenyl) sulfanyl]formonitrile
EQA25419-01	[ (2-Nitro-4-phenylphenyl) sulfanyl]formonitrile
FAA28574-01	[ (4-Methylphenyl) sulfanyl]formonitrile
HAA15280-01	{[4- (Dimethylamino) phenyl]sulfanyl}formonitrile
IBA19210-01	[ (4-Amino-3-methylphenyl) sulfanyl]formonitrile
DAA70345-01	[ (4-Amino-3-ethylphenyl) sulfanyl]formonitrile
JBD32634-01	[ (4-Amino-2-bromo-5-chlorophenyl) sulfanyl]formonitrile
TCA67237-01	{[4-Amino-3- (trifluoromethyl) phenyl]sulfanyl}formonitrile
CFA48368-01	[ (4-Amino-3,5-diethylphenyl) sulfanyl]formonitrile
YIB05292-01	2-[ (2-Fluorophenyl) sulfanyl]acetohydrazide

Catalog	Name
TRC-F589910-500MG	2-[(2-Fluorophenyl)sulfanyl]acetic Acid
sc-321368	2-[ (4-Fluorophenyl) sulfanyl]-5-nitrobenzenecarbaldehyde
PC100473-01	3-[ (2-fluorophenyl) sulfanyl]propanoic acid
PC210060	Methyl 2-[ (2-cyano-3-fluorophenyl) sulfanyl]acetate
PC200072	2-[ (2-Chloro-4-fluorophenyl) sulfanyl]acetic acid
sc-299346	4-[ (4-Fluorophenyl) sulfanyl]aniline
sc-344795	3-[ (4-fluorophenyl) sulfanyl]propanenitrile
sc-315260A	4-[ (4-Fluorophenyl) sulfanyl]-3-nitrobenzene carbaldehyde
PC107707	5-{[ (2-Fluorophenyl) methyl]sulfanyl}-1,3,4-thiadiazol-2-amine
PC102036-01	2-{[1- (3-fluorophenyl) -1h-imidazol-2-yl]sulfanyl}acetic acid