4-chloro-2-(ethylsulfanylmethyl)-1-fluorobenzene

C9H10ClFS — CID 126990340

IUPAC4-chloro-2-(ethylsulfanylmethyl)-1-fluorobenzene
SMILESCCSCc1cc(Cl)ccc1F
InChIInChI=1S/C9H10ClFS/c1-2-12-6-7-5-8(10)3-4-9(7)11/h3-5H,2,6H2,1H3
InChIKeySSGXHKWEJHDGRK-UHFFFAOYSA-N
MW204.70 g/mol
LogP3.73
Rot. Bonds3

About 4-chloro-2-(ethylsulfanylmethyl)-1-fluorobenzene

4-chloro-2-(ethylsulfanylmethyl)-1-fluorobenzene (PubChem CID 126990340) has the molecular formula C9H10ClFS and a molecular weight of 204.70 g/mol. Its IUPAC name is 4-chloro-2-(ethylsulfanylmethyl)-1-fluorobenzene.

Molecular Properties

Compound Name4-chloro-2-(ethylsulfanylmethyl)-1-fluorobenzene
PubChem CID126990340
Molecular FormulaC9H10ClFS
Molecular Weight204.70 g/mol
Exact Mass204.02
IUPAC Name4-chloro-2-(ethylsulfanylmethyl)-1-fluorobenzene
SMILESCCSCc1cc(Cl)ccc1F
InChIInChI=1S/C9H10ClFS/c1-2-12-6-7-5-8(10)3-4-9(7)11/h3-5H,2,6H2,1H3
InChIKeySSGXHKWEJHDGRK-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-chloro-2-(ethylsulfanylmethyl)-1-fluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-chloro-2-fluorophenyl)methylsulfanyl]propan-1-amine
CID 103046809
4-chloro-2-[(3-chloro-2-methylpropyl)sulfanylmethyl]-1-fluorobenzene
CID 103052232
2-bromo-4-chloro-1-(ethylsulfanylmethyl)benzene
CID 117221392
1-(ethylsulfanylmethyl)-2,4-difluorobenzene
CID 91657273
5-chloro-3-(ethylsulfanylmethyl)-1H-indole
CID 57132711
1-(5-chloro-2-fluorophenyl)-3-propylsulfanylpropan-2-one
CID 103048010
2-[(5-chloro-2-fluorophenyl)methylsulfanyl]-4-methylaniline
CID 103046816
2-(5-chloro-2-fluorophenyl)ethanamine
CID 53403693
(2-fluoro-5-methylphenyl)methylsulfanylmethanol
CID 174380903
2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 82491545
4-chloro-2-[[4-(dimethoxymethyl)phenyl]sulfanylmethyl]-1-fluorobenzene
CID 103050213
1-[(4-chloro-2-fluorophenyl)methylsulfanyl]-2-methylpropan-2-amine
CID 114849741

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(ethylsulfanylmethyl)-1-fluorobenzene?
The IUPAC name of 4-chloro-2-(ethylsulfanylmethyl)-1-fluorobenzene (CID 126990340) is 4-chloro-2-(ethylsulfanylmethyl)-1-fluorobenzene.
What is the SMILES notation for 4-chloro-2-(ethylsulfanylmethyl)-1-fluorobenzene?
The canonical SMILES for 4-chloro-2-(ethylsulfanylmethyl)-1-fluorobenzene is CCSCc1cc(Cl)ccc1F.
What is the InChIKey of 4-chloro-2-(ethylsulfanylmethyl)-1-fluorobenzene?
The InChIKey is SSGXHKWEJHDGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFS/c1-2-12-6-7-5-8(10)3-4-9(7)11/h3-5H,2,6H2,1H3.
What are the key properties of 4-chloro-2-(ethylsulfanylmethyl)-1-fluorobenzene?
4-chloro-2-(ethylsulfanylmethyl)-1-fluorobenzene has a molecular weight of 204.70 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(ethylsulfanylmethyl)-1-fluorobenzene is sourced from PubChem (CID 126990340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).