2-ethenylsulfanyl-6-ethyl-3-fluoroaniline

C10H12FNS — CID 89032794

IUPAC2-ethenylsulfanyl-6-ethyl-3-fluoroaniline
SMILESC=CSc1c(F)ccc(CC)c1N
InChIInChI=1S/C10H12FNS/c1-3-7-5-6-8(11)10(9(7)12)13-4-2/h4-6H,2-3,12H2,1H3
InChIKeyTXDJCWFOGXCNFG-UHFFFAOYSA-N
MW197.28 g/mol
LogP3.21
Rot. Bonds3

About 2-ethenylsulfanyl-6-ethyl-3-fluoroaniline

2-ethenylsulfanyl-6-ethyl-3-fluoroaniline (PubChem CID 89032794) has the molecular formula C10H12FNS and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-ethenylsulfanyl-6-ethyl-3-fluoroaniline.

Molecular Properties

Compound Name2-ethenylsulfanyl-6-ethyl-3-fluoroaniline
PubChem CID89032794
Molecular FormulaC10H12FNS
Molecular Weight197.28 g/mol
Exact Mass197.07
IUPAC Name2-ethenylsulfanyl-6-ethyl-3-fluoroaniline
SMILESC=CSc1c(F)ccc(CC)c1N
InChIInChI=1S/C10H12FNS/c1-3-7-5-6-8(11)10(9(7)12)13-4-2/h4-6H,2-3,12H2,1H3
InChIKeyTXDJCWFOGXCNFG-UHFFFAOYSA-N
XLogP3.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-Amino-3-methylbenzene-1-thiol
CID 12678668
4-(Butan-2-ylsulfanyl)-2-(trifluoromethyl)aniline
CID 43188415
2-Amino-5-(methylthio)benzotrifluoride
CID 13070055
2-Methyl-4-(methylsulfanyl)aniline
CID 14361990
2-[(4-Fluorophenyl)methylsulfanyl]aniline
CID 4369752
4-Fluoro-2-(methylsulfanylmethyl)aniline
CID 61023472
2-Amino-5-fluoro-3-methylbenzene-1-thiol
CID 15486621
4-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-methylsulfanylaniline
CID 9904645
4-(Ethylsulfanyl)-2-(trifluoromethyl)aniline
CID 13070048
2-Methylthiomethyl-3,4,6-trifluoroaniline
CID 18974461
3-Amino-4-octylthio-2-methylthiomethylbenzotrifluoride
CID 20332853
3-Amino-4-methylthio-2-methylthiomethylbenzotrifluoride
CID 20332857

Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfanyl-6-ethyl-3-fluoroaniline?
The IUPAC name of 2-ethenylsulfanyl-6-ethyl-3-fluoroaniline (CID 89032794) is 2-ethenylsulfanyl-6-ethyl-3-fluoroaniline.
What is the SMILES notation for 2-ethenylsulfanyl-6-ethyl-3-fluoroaniline?
The canonical SMILES for 2-ethenylsulfanyl-6-ethyl-3-fluoroaniline is C=CSc1c(F)ccc(CC)c1N.
What is the InChIKey of 2-ethenylsulfanyl-6-ethyl-3-fluoroaniline?
The InChIKey is TXDJCWFOGXCNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNS/c1-3-7-5-6-8(11)10(9(7)12)13-4-2/h4-6H,2-3,12H2,1H3.
What are the key properties of 2-ethenylsulfanyl-6-ethyl-3-fluoroaniline?
2-ethenylsulfanyl-6-ethyl-3-fluoroaniline has a molecular weight of 197.28 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfanyl-6-ethyl-3-fluoroaniline is sourced from PubChem (CID 89032794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).