1-methylsulfanyl-2-(trifluoromethoxy)ethane

C4H7F3OS — CID 122581361

IUPAC1-methylsulfanyl-2-(trifluoromethoxy)ethane
SMILESCSCCOC(F)(F)F
InChIInChI=1S/C4H7F3OS/c1-9-3-2-8-4(5,6)7/h2-3H2,1H3
InChIKeyCOOYAQFRRDXAPC-UHFFFAOYSA-N
MW160.16 g/mol
LogP1.89
Rot. Bonds3

About 1-methylsulfanyl-2-(trifluoromethoxy)ethane

1-methylsulfanyl-2-(trifluoromethoxy)ethane (PubChem CID 122581361) has the molecular formula C4H7F3OS and a molecular weight of 160.16 g/mol. Its IUPAC name is 1-methylsulfanyl-2-(trifluoromethoxy)ethane.

Molecular Properties

Compound Name1-methylsulfanyl-2-(trifluoromethoxy)ethane
PubChem CID122581361
Molecular FormulaC4H7F3OS
Molecular Weight160.16 g/mol
Exact Mass160.02
IUPAC Name1-methylsulfanyl-2-(trifluoromethoxy)ethane
SMILESCSCCOC(F)(F)F
InChIInChI=1S/C4H7F3OS/c1-9-3-2-8-4(5,6)7/h2-3H2,1H3
InChIKeyCOOYAQFRRDXAPC-UHFFFAOYSA-N
XLogP1.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.16
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Ethylsulfanyl-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,3-heptafluoropropane
CID 163198787
1,1,1,2,2,3,3-Heptafluoro-3-(1,2,2-trifluoro-2-methylsulfanylethoxy)propane
CID 163198789
O-ethyl 1,2,2,2-tetrafluoroethylsulfanylmethanethioate
CID 138971696
2,2,2-Trifluoroethyl ethylsulfanylformate
CID 12541003
1,1,1-Trifluoro-3-(2-methylsulfanylethoxy)propane
CID 104863836
1-Methoxy-2-(trifluoromethylsulfanyl)ethane
CID 118075048
1-(Difluoromethoxy)-2-methylsulfanylethane
CID 122581351
(Difluoromethyl)(2-methoxyethyl)sulfane
CID 122581357
1-(Fluoromethylsulfanyl)-2-methoxyethane
CID 122581360
1-(Fluoromethoxy)-2-methylsulfanylethane
CID 122581364
1,1,1-Trifluoro-2-(methylsulfanylmethoxy)ethane
CID 130654507
1,1-Difluoro-2-(1-methylsulfanylethoxy)ethane
CID 131981930

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-2-(trifluoromethoxy)ethane?
The IUPAC name of 1-methylsulfanyl-2-(trifluoromethoxy)ethane (CID 122581361) is 1-methylsulfanyl-2-(trifluoromethoxy)ethane.
What is the SMILES notation for 1-methylsulfanyl-2-(trifluoromethoxy)ethane?
The canonical SMILES for 1-methylsulfanyl-2-(trifluoromethoxy)ethane is CSCCOC(F)(F)F.
What is the InChIKey of 1-methylsulfanyl-2-(trifluoromethoxy)ethane?
The InChIKey is COOYAQFRRDXAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3OS/c1-9-3-2-8-4(5,6)7/h2-3H2,1H3.
What are the key properties of 1-methylsulfanyl-2-(trifluoromethoxy)ethane?
1-methylsulfanyl-2-(trifluoromethoxy)ethane has a molecular weight of 160.16 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-2-(trifluoromethoxy)ethane is sourced from PubChem (CID 122581361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).