3-methylsulfanyl-2-phenyl-2-(trifluoromethyl)thiolane

C12H13F3S2 — CID 13332359

IUPAC3-methylsulfanyl-2-phenyl-2-(trifluoromethyl)thiolane
SMILESCSC1CCSC1(c1ccccc1)C(F)(F)F
InChIInChI=1S/C12H13F3S2/c1-16-10-7-8-17-11(10,12(13,14)15)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKeyRHQSJUPKPRWPOR-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.31
Rot. Bonds2

About 3-methylsulfanyl-2-phenyl-2-(trifluoromethyl)thiolane

3-methylsulfanyl-2-phenyl-2-(trifluoromethyl)thiolane (PubChem CID 13332359) has the molecular formula C12H13F3S2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-methylsulfanyl-2-phenyl-2-(trifluoromethyl)thiolane.

Molecular Properties

Compound Name3-methylsulfanyl-2-phenyl-2-(trifluoromethyl)thiolane
PubChem CID13332359
Molecular FormulaC12H13F3S2
Molecular Weight278.36 g/mol
Exact Mass278.04
IUPAC Name3-methylsulfanyl-2-phenyl-2-(trifluoromethyl)thiolane
SMILESCSC1CCSC1(c1ccccc1)C(F)(F)F
InChIInChI=1S/C12H13F3S2/c1-16-10-7-8-17-11(10,12(13,14)15)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKeyRHQSJUPKPRWPOR-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,2-diphenylthiolan-3-yl)disulfanyl]-2,2-diphenylthiolane
CID 13207735
2-(methylsulfanylmethyl)-2-phenylaziridine
CID 123890666
(3S,5R)-5-methyl-3-phenyl-3-(trifluoromethyl)-1,2,4-trioxolane
CID 102063010
2-methyl-2-phenylthian-4-amine
CID 167722748
(2S,5R)-1-methyl-2,5-bis[(2-phenyl-1,3-dithiolan-2-yl)methyl]pyrrolidine
CID 66559654
[(1S,2R)-2-phenyl-1-(trifluoromethyl)cyclopropyl]benzene
CID 132581964
2-ethyl-4-methyl-2-phenyl-1,3-dithiolane
CID 121011199
2,3-diphenyl-2-(trifluoromethyl)oxolane
CID 123227157
1-cyclopentyl-3-phenyl-3-(trifluoromethyl)diaziridine
CID 155405332
CID 21160539
CID 21160539
(1-phenyl-4-propylcyclohexyl)benzene
CID 22919269
1-cyclohexyl-3-phenyl-3-(trifluoromethyl)diaziridine
CID 155405334

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-2-phenyl-2-(trifluoromethyl)thiolane?
The IUPAC name of 3-methylsulfanyl-2-phenyl-2-(trifluoromethyl)thiolane (CID 13332359) is 3-methylsulfanyl-2-phenyl-2-(trifluoromethyl)thiolane.
What is the SMILES notation for 3-methylsulfanyl-2-phenyl-2-(trifluoromethyl)thiolane?
The canonical SMILES for 3-methylsulfanyl-2-phenyl-2-(trifluoromethyl)thiolane is CSC1CCSC1(c1ccccc1)C(F)(F)F.
What is the InChIKey of 3-methylsulfanyl-2-phenyl-2-(trifluoromethyl)thiolane?
The InChIKey is RHQSJUPKPRWPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3S2/c1-16-10-7-8-17-11(10,12(13,14)15)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3.
What are the key properties of 3-methylsulfanyl-2-phenyl-2-(trifluoromethyl)thiolane?
3-methylsulfanyl-2-phenyl-2-(trifluoromethyl)thiolane has a molecular weight of 278.36 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-2-phenyl-2-(trifluoromethyl)thiolane is sourced from PubChem (CID 13332359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).