1,1,1-trifluoro-2-methylsulfanyl-2-nitrosoethane

C3H4F3NOS — CID 54510714

IUPAC1,1,1-trifluoro-2-methylsulfanyl-2-nitrosoethane
SMILESCSC(N=O)C(F)(F)F
InChIInChI=1S/C3H4F3NOS/c1-9-2(7-8)3(4,5)6/h2H,1H3
InChIKeyYIXPWDFQFGGHPZ-UHFFFAOYSA-N
MW159.13 g/mol
LogP2.00
Rot. Bonds2

About 1,1,1-trifluoro-2-methylsulfanyl-2-nitrosoethane

1,1,1-trifluoro-2-methylsulfanyl-2-nitrosoethane (PubChem CID 54510714) has the molecular formula C3H4F3NOS and a molecular weight of 159.13 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-methylsulfanyl-2-nitrosoethane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-methylsulfanyl-2-nitrosoethane
PubChem CID54510714
Molecular FormulaC3H4F3NOS
Molecular Weight159.13 g/mol
Exact Mass159.00
IUPAC Name1,1,1-trifluoro-2-methylsulfanyl-2-nitrosoethane
SMILESCSC(N=O)C(F)(F)F
InChIInChI=1S/C3H4F3NOS/c1-9-2(7-8)3(4,5)6/h2H,1H3
InChIKeyYIXPWDFQFGGHPZ-UHFFFAOYSA-N
XLogP2.00
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.13
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-methylsulfanyl-2-nitrosoethane?
The IUPAC name of 1,1,1-trifluoro-2-methylsulfanyl-2-nitrosoethane (CID 54510714) is 1,1,1-trifluoro-2-methylsulfanyl-2-nitrosoethane.
What is the SMILES notation for 1,1,1-trifluoro-2-methylsulfanyl-2-nitrosoethane?
The canonical SMILES for 1,1,1-trifluoro-2-methylsulfanyl-2-nitrosoethane is CSC(N=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-methylsulfanyl-2-nitrosoethane?
The InChIKey is YIXPWDFQFGGHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F3NOS/c1-9-2(7-8)3(4,5)6/h2H,1H3.
What are the key properties of 1,1,1-trifluoro-2-methylsulfanyl-2-nitrosoethane?
1,1,1-trifluoro-2-methylsulfanyl-2-nitrosoethane has a molecular weight of 159.13 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-methylsulfanyl-2-nitrosoethane is sourced from PubChem (CID 54510714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).