5-methylsulfanyl-2-(trifluoromethyl)aniline

C8H8F3NS — CID 91881222

IUPAC5-methylsulfanyl-2-(trifluoromethyl)aniline
SMILESCSc1ccc(C(F)(F)F)c(N)c1
InChIInChI=1S/C8H8F3NS/c1-13-5-2-3-6(7(12)4-5)8(9,10)11/h2-4H,12H2,1H3
InChIKeyFVAIFAXLJPRVQR-UHFFFAOYSA-N
MW207.22 g/mol
LogP3.01
Rot. Bonds1

About 5-methylsulfanyl-2-(trifluoromethyl)aniline

5-methylsulfanyl-2-(trifluoromethyl)aniline (PubChem CID 91881222) has the molecular formula C8H8F3NS and a molecular weight of 207.22 g/mol. Its IUPAC name is 5-methylsulfanyl-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name5-methylsulfanyl-2-(trifluoromethyl)aniline
PubChem CID91881222
Molecular FormulaC8H8F3NS
Molecular Weight207.22 g/mol
Exact Mass207.03
IUPAC Name5-methylsulfanyl-2-(trifluoromethyl)aniline
SMILESCSc1ccc(C(F)(F)F)c(N)c1
InChIInChI=1S/C8H8F3NS/c1-13-5-2-3-6(7(12)4-5)8(9,10)11/h2-4H,12H2,1H3
InChIKeyFVAIFAXLJPRVQR-UHFFFAOYSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 53.01
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

4-methylsulfanyl-2-(trifluoromethoxy)-1-(trifluoromethyl)benzene
CID 170999546
4-(4-methylsulfanylphenoxy)-2-(trifluoromethyl)aniline
CID 63647439
2-methyl-5-methylsulfanylaniline
CID 62911126
4-methylsulfanyl-5-(trifluoromethyl)benzene-1,2-diamine
CID 134459780
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-methylsulfanylbenzene
CID 12040597
2-ethoxy-5-methylsulfanylaniline
CID 97035048
S-methyl 3-(4-methylphenyl)-2-[5-methylsulfanyl-2-(trifluoromethyl)phenyl]-3-oxopropanethioate
CID 73333148
4-propan-2-ylsulfanyl-2-(trifluoromethyl)aniline
CID 20531429
5-methylsulfanyl-2-nitrosoaniline
CID 88982168
2-(bromomethyl)-5-methylsulfanylaniline
CID 91881538
2-iodo-4-methylsulfanylaniline
CID 19858575
1-[4-methylsulfanyl-2-(trifluoromethyl)phenyl]propan-1-one
CID 118838008

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-2-(trifluoromethyl)aniline?
The IUPAC name of 5-methylsulfanyl-2-(trifluoromethyl)aniline (CID 91881222) is 5-methylsulfanyl-2-(trifluoromethyl)aniline.
What is the SMILES notation for 5-methylsulfanyl-2-(trifluoromethyl)aniline?
The canonical SMILES for 5-methylsulfanyl-2-(trifluoromethyl)aniline is CSc1ccc(C(F)(F)F)c(N)c1.
What is the InChIKey of 5-methylsulfanyl-2-(trifluoromethyl)aniline?
The InChIKey is FVAIFAXLJPRVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NS/c1-13-5-2-3-6(7(12)4-5)8(9,10)11/h2-4H,12H2,1H3.
What are the key properties of 5-methylsulfanyl-2-(trifluoromethyl)aniline?
5-methylsulfanyl-2-(trifluoromethyl)aniline has a molecular weight of 207.22 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-2-(trifluoromethyl)aniline is sourced from PubChem (CID 91881222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).