4- (3-Fluorophenyl) -3-thiosemicarbazide

CAT: 0013-GTR19252522-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19252522-01Size:100 mg

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Description

4- (3-Fluorophenyl) -3-thiosemicarbazide

CAS Number

70619-48-6

Smiles

NNC (=S) Nc1cccc (F) c1

Molecular Formula

C7H8FN3S

Molecular Weight

185.23

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

N-(3-Fluorophenyl)hydrazinecarbothioamide

N1-(3-fluorophenyl)hydrazine-1-carbothioamide is an organofluorine compound.

CAS Number	70619-48-6
PubChem CID	2737499
IUPAC Name	1-amino-3-(3-fluorophenyl)thiourea
Molecular Formula	C7H8FN3S
Molecular Weight	185.22
XLogP	0.9
Topological Polar Surface Area	82.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	165

SMILES

C1=CC(=CC(=C1)F)NC(=S)NN

InChI

InChI=1S/C7H8FN3S/c8-5-2-1-3-6(4-5)10-7(12)11-9/h1-4H,9H2,(H2,10,11,12)

InChIKey

HLLFMTUWRLDCPF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 70619-48-6

CID: 2737499

Formula: C7H8FN3S

MW: 185.22

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	185.22
XLogP3	0.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	185.04229660
Monoisotopic Mass	185.04229660
Topological Polar Surface Area	82.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	165
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

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Alternative Products

Catalog	Name
PC4351	4- (3-Fluorophenyl) -3-thiosemicarbazide
sc-261336	4- (4-Fluorophenyl) -3-thiosemicarbazide
sc-261258	4- (2-Fluorophenyl) -3-thiosemicarbazide
FLA13347-01	1- (4-Fluorophenyl) thiosemicarbazide
PC10118	1- (2-Fluorophenyl) thiosemicarbazide
PC4519-01	4- (4-Fluorophenyl) thiosemicarbazide
sc-276704	4- (3-Chlorophenyl) -3-thiosemicarbazide
OR1021590	4- (3-Picolyl) -3-thiosemicarbazide
HBA81348	4- (3-Morpholinopropyl) -3-thiosemicarbazide
WCA05832	4- (3-Methoxypropyl) -3-thiosemicarbazide

4- (3-Fluorophenyl) -3-thiosemicarbazide

Chemical Information

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