3-fluoro-4-methylsulfanyl-N-propylaniline

C10H14FNS — CID 88990128

IUPAC3-fluoro-4-methylsulfanyl-N-propylaniline
SMILESCCCNc1ccc(SC)c(F)c1
InChIInChI=1S/C10H14FNS/c1-3-6-12-8-4-5-10(13-2)9(11)7-8/h4-5,7,12H,3,6H2,1-2H3
InChIKeyIQQXQCSNHNXMAJ-UHFFFAOYSA-N
MW199.29 g/mol
LogP3.37
Rot. Bonds4

About 3-fluoro-4-methylsulfanyl-N-propylaniline

3-fluoro-4-methylsulfanyl-N-propylaniline (PubChem CID 88990128) has the molecular formula C10H14FNS and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-fluoro-4-methylsulfanyl-N-propylaniline.

Molecular Properties

Compound Name3-fluoro-4-methylsulfanyl-N-propylaniline
PubChem CID88990128
Molecular FormulaC10H14FNS
Molecular Weight199.29 g/mol
Exact Mass199.08
IUPAC Name3-fluoro-4-methylsulfanyl-N-propylaniline
SMILESCCCNc1ccc(SC)c(F)c1
InChIInChI=1S/C10H14FNS/c1-3-6-12-8-4-5-10(13-2)9(11)7-8/h4-5,7,12H,3,6H2,1-2H3
InChIKeyIQQXQCSNHNXMAJ-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methylsulfanyl-N-propylaniline?
The IUPAC name of 3-fluoro-4-methylsulfanyl-N-propylaniline (CID 88990128) is 3-fluoro-4-methylsulfanyl-N-propylaniline.
What is the SMILES notation for 3-fluoro-4-methylsulfanyl-N-propylaniline?
The canonical SMILES for 3-fluoro-4-methylsulfanyl-N-propylaniline is CCCNc1ccc(SC)c(F)c1.
What is the InChIKey of 3-fluoro-4-methylsulfanyl-N-propylaniline?
The InChIKey is IQQXQCSNHNXMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNS/c1-3-6-12-8-4-5-10(13-2)9(11)7-8/h4-5,7,12H,3,6H2,1-2H3.
What are the key properties of 3-fluoro-4-methylsulfanyl-N-propylaniline?
3-fluoro-4-methylsulfanyl-N-propylaniline has a molecular weight of 199.29 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methylsulfanyl-N-propylaniline is sourced from PubChem (CID 88990128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).