2-chloro-1-(2-fluorophenyl)-4-thionitrosobenzene

C12H7ClFNS — CID 118636345

IUPAC2-chloro-1-(2-fluorophenyl)-4-thionitrosobenzene
SMILESFc1ccccc1-c1ccc(N=S)cc1Cl
InChIInChI=1S/C12H7ClFNS/c13-11-7-8(15-16)5-6-9(11)10-3-1-2-4-12(10)14/h1-7H
InChIKeyOMOHOXFBZNQZOL-UHFFFAOYSA-N
MW251.71 g/mol
LogP4.51
Rot. Bonds2

About 2-chloro-1-(2-fluorophenyl)-4-thionitrosobenzene

2-chloro-1-(2-fluorophenyl)-4-thionitrosobenzene (PubChem CID 118636345) has the molecular formula C12H7ClFNS and a molecular weight of 251.71 g/mol. Its IUPAC name is 2-chloro-1-(2-fluorophenyl)-4-thionitrosobenzene.

Molecular Properties

Compound Name2-chloro-1-(2-fluorophenyl)-4-thionitrosobenzene
PubChem CID118636345
Molecular FormulaC12H7ClFNS
Molecular Weight251.71 g/mol
Exact Mass251.00
IUPAC Name2-chloro-1-(2-fluorophenyl)-4-thionitrosobenzene
SMILESFc1ccccc1-c1ccc(N=S)cc1Cl
InChIInChI=1S/C12H7ClFNS/c13-11-7-8(15-16)5-6-9(11)10-3-1-2-4-12(10)14/h1-7H
InChIKeyOMOHOXFBZNQZOL-UHFFFAOYSA-N
XLogP4.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Amino-4'-chlorodiphenyl
CID 8675
2,2'-Dichlorobenzidine
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2'-Chloro-[1,1'-biphenyl]-4-amine
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3'-Chloro-(1,1'-biphenyl)-4-amine
CID 2757427
4-Amino-2-chloro-alpha-phenylbenzeneacetonitrile
CID 107335
3-Chloro-4-(trifluoromethyl)aniline
CID 67962
2-Chloro-biphenyl-4-ylamine
CID 39231621
4-(2-Chlorophenyl)-3-fluoroaniline
CID 57415028
3-Chloro-4-ethylaniline
CID 21189948
3-Chloro-4-cyclopropylaniline
CID 68786528
4,4'-Stilbenediamine, 2,2'-dichloro-
CID 6444381
4-(2-Chloro-6-fluorophenyl)-3-fluoroaniline
CID 57415154

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-fluorophenyl)-4-thionitrosobenzene?
The IUPAC name of 2-chloro-1-(2-fluorophenyl)-4-thionitrosobenzene (CID 118636345) is 2-chloro-1-(2-fluorophenyl)-4-thionitrosobenzene.
What is the SMILES notation for 2-chloro-1-(2-fluorophenyl)-4-thionitrosobenzene?
The canonical SMILES for 2-chloro-1-(2-fluorophenyl)-4-thionitrosobenzene is Fc1ccccc1-c1ccc(N=S)cc1Cl.
What is the InChIKey of 2-chloro-1-(2-fluorophenyl)-4-thionitrosobenzene?
The InChIKey is OMOHOXFBZNQZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFNS/c13-11-7-8(15-16)5-6-9(11)10-3-1-2-4-12(10)14/h1-7H.
What are the key properties of 2-chloro-1-(2-fluorophenyl)-4-thionitrosobenzene?
2-chloro-1-(2-fluorophenyl)-4-thionitrosobenzene has a molecular weight of 251.71 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-fluorophenyl)-4-thionitrosobenzene is sourced from PubChem (CID 118636345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).