(1S)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine

C10H12F3NS — CID 94603340

IUPAC(1S)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCSC[C@@H](N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H12F3NS/c1-15-6-9(14)7-2-4-8(5-3-7)10(11,12)13/h2-5,9H,6,14H2,1H3/t9-/m1/s1
InChIKeyMVRBFXYRJBBGAB-SECBINFHSA-N
MW235.27 g/mol
LogP3.07
Rot. Bonds3

About (1S)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine

(1S)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 94603340) has the molecular formula C10H12F3NS and a molecular weight of 235.27 g/mol. Its IUPAC name is (1S)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID94603340
Molecular FormulaC10H12F3NS
Molecular Weight235.27 g/mol
Exact Mass235.06
IUPAC Name(1S)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCSC[C@@H](N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H12F3NS/c1-15-6-9(14)7-2-4-8(5-3-7)10(11,12)13/h2-5,9H,6,14H2,1H3/t9-/m1/s1
InChIKeyMVRBFXYRJBBGAB-SECBINFHSA-N
XLogP3.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 94603339
2-tert-butylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 65132708
3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 105142670
(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 130899133
2-(4-chlorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 66144558
1-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 61032956
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 107524855
2-(1-methylimidazol-2-yl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 107524443
3-methoxy-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62790379
(1R)-3,3-difluoro-1-[4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313460
3,4,4-trimethyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 115852178
(1S)-1-[4-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 171218575

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of (1S)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine (CID 94603340) is (1S)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for (1S)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for (1S)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine is CSC[C@@H](N)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (1S)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is MVRBFXYRJBBGAB-SECBINFHSA-N. The full InChI is InChI=1S/C10H12F3NS/c1-15-6-9(14)7-2-4-8(5-3-7)10(11,12)13/h2-5,9H,6,14H2,1H3/t9-/m1/s1.
What are the key properties of (1S)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine?
(1S)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 235.27 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 94603340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).