2-chloro-1-fluoro-4-propan-2-ylsulfanylbenzene

C9H10ClFS — CID 126991034

IUPAC2-chloro-1-fluoro-4-propan-2-ylsulfanylbenzene
SMILESCC(C)Sc1ccc(F)c(Cl)c1
InChIInChI=1S/C9H10ClFS/c1-6(2)12-7-3-4-9(11)8(10)5-7/h3-6H,1-2H3
InChIKeySCBYMQFFZRBKRC-UHFFFAOYSA-N
MW204.70 g/mol
LogP3.98
Rot. Bonds2

About 2-chloro-1-fluoro-4-propan-2-ylsulfanylbenzene

2-chloro-1-fluoro-4-propan-2-ylsulfanylbenzene (PubChem CID 126991034) has the molecular formula C9H10ClFS and a molecular weight of 204.70 g/mol. Its IUPAC name is 2-chloro-1-fluoro-4-propan-2-ylsulfanylbenzene.

Molecular Properties

Compound Name2-chloro-1-fluoro-4-propan-2-ylsulfanylbenzene
PubChem CID126991034
Molecular FormulaC9H10ClFS
Molecular Weight204.70 g/mol
Exact Mass204.02
IUPAC Name2-chloro-1-fluoro-4-propan-2-ylsulfanylbenzene
SMILESCC(C)Sc1ccc(F)c(Cl)c1
InChIInChI=1S/C9H10ClFS/c1-6(2)12-7-3-4-9(11)8(10)5-7/h3-6H,1-2H3
InChIKeySCBYMQFFZRBKRC-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dichloro-4-propan-2-ylsulfanylbenzene
CID 59882028
tert-butyl 2-(3-chloro-4-fluorophenyl)sulfanylpropanoate
CID 64688114
3-(3-chloro-4-fluorophenyl)sulfanyl-2-methylbutanehydrazide
CID 79405680
2-chloro-4-ethylsulfanyl-1-fluorobenzene
CID 55220710
1-chloro-3-propan-2-ylsulfanylbenzene
CID 12763281
5-[1-(3-chloro-4-fluorophenyl)sulfanylethyl]furan-2-carboxylic acid
CID 78979671
(2R)-2-(3-chloro-4-fluorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide
CID 8859309
2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 43026503
2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide
CID 18275938
(2R)-2-(3-chloro-4-fluorophenyl)sulfanyl-N-(2-nitrophenyl)propanamide
CID 8680581
(2S)-N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 8740662
N-(3-chloro-4-fluorophenyl)-2-propan-2-ylsulfanylbenzamide
CID 9173217

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-fluoro-4-propan-2-ylsulfanylbenzene?
The IUPAC name of 2-chloro-1-fluoro-4-propan-2-ylsulfanylbenzene (CID 126991034) is 2-chloro-1-fluoro-4-propan-2-ylsulfanylbenzene.
What is the SMILES notation for 2-chloro-1-fluoro-4-propan-2-ylsulfanylbenzene?
The canonical SMILES for 2-chloro-1-fluoro-4-propan-2-ylsulfanylbenzene is CC(C)Sc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-chloro-1-fluoro-4-propan-2-ylsulfanylbenzene?
The InChIKey is SCBYMQFFZRBKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFS/c1-6(2)12-7-3-4-9(11)8(10)5-7/h3-6H,1-2H3.
What are the key properties of 2-chloro-1-fluoro-4-propan-2-ylsulfanylbenzene?
2-chloro-1-fluoro-4-propan-2-ylsulfanylbenzene has a molecular weight of 204.70 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-fluoro-4-propan-2-ylsulfanylbenzene is sourced from PubChem (CID 126991034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).