4-Chloro-2-fluorobenzothioamide

CAT: 0127-PC103389-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC103389-01Size:250 mg

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CAS Number

1343722-88-2

MDL Number

MFCD17290209

Purity

98%

Smiles

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

Chemical Information

4-Chloro-2-fluorobenzothioamide

CAS Number	1343722-88-2
PubChem CID	63083452
IUPAC Name	4-chloro-2-fluorobenzenecarbothioamide
Molecular Formula	C7H5ClFNS
Molecular Weight	189.64
XLogP	2.1
Topological Polar Surface Area	58.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	165

SMILES

C1=CC(=C(C=C1Cl)F)C(=S)N

InChI

InChI=1S/C7H5ClFNS/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H2,10,11)

InChIKey

NEPXTWOYNKUFOB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1343722-88-2

CID: 63083452

Formula: C7H5ClFNS

MW: 189.64

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	189.64
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	188.9815262
Monoisotopic Mass	188.9815262
Topological Polar Surface Area	58.1 Å²
Heavy Atom Count	11
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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