(fluoromethyldisulfanyl)ethane

C3H7FS2 — CID 87154724

IUPAC(fluoromethyldisulfanyl)ethane
SMILESCCSSCF
InChIInChI=1S/C3H7FS2/c1-2-5-6-3-4/h2-3H2,1H3
InChIKeyGHWXPYYAAZQDGW-UHFFFAOYSA-N
MW126.22 g/mol
LogP2.31
Rot. Bonds3

About (fluoromethyldisulfanyl)ethane

(fluoromethyldisulfanyl)ethane (PubChem CID 87154724) has the molecular formula C3H7FS2 and a molecular weight of 126.22 g/mol. Its IUPAC name is (fluoromethyldisulfanyl)ethane.

Molecular Properties

Compound Name(fluoromethyldisulfanyl)ethane
PubChem CID87154724
Molecular FormulaC3H7FS2
Molecular Weight126.22 g/mol
Exact Mass126.00
IUPAC Name(fluoromethyldisulfanyl)ethane
SMILESCCSSCF
InChIInChI=1S/C3H7FS2/c1-2-5-6-3-4/h2-3H2,1H3
InChIKeyGHWXPYYAAZQDGW-UHFFFAOYSA-N
XLogP2.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (fluoromethyldisulfanyl)ethane?
The IUPAC name of (fluoromethyldisulfanyl)ethane (CID 87154724) is (fluoromethyldisulfanyl)ethane.
What is the SMILES notation for (fluoromethyldisulfanyl)ethane?
The canonical SMILES for (fluoromethyldisulfanyl)ethane is CCSSCF.
What is the InChIKey of (fluoromethyldisulfanyl)ethane?
The InChIKey is GHWXPYYAAZQDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7FS2/c1-2-5-6-3-4/h2-3H2,1H3.
What are the key properties of (fluoromethyldisulfanyl)ethane?
(fluoromethyldisulfanyl)ethane has a molecular weight of 126.22 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (fluoromethyldisulfanyl)ethane is sourced from PubChem (CID 87154724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).