difluoro(fluoromethylsulfanyl)methanethiol

C2H3F3S2 — CID 175473579

IUPACdifluoro(fluoromethylsulfanyl)methanethiol
SMILESFCSC(F)(F)S
InChIInChI=1S/C2H3F3S2/c3-1-7-2(4,5)6/h6H,1H2
InChIKeyBMEHQTZNYGXXTC-UHFFFAOYSA-N
MW148.17 g/mol
LogP2.13
Rot. Bonds2

About difluoro(fluoromethylsulfanyl)methanethiol

difluoro(fluoromethylsulfanyl)methanethiol (PubChem CID 175473579) has the molecular formula C2H3F3S2 and a molecular weight of 148.17 g/mol. Its IUPAC name is difluoro(fluoromethylsulfanyl)methanethiol.

Molecular Properties

Compound Namedifluoro(fluoromethylsulfanyl)methanethiol
PubChem CID175473579
Molecular FormulaC2H3F3S2
Molecular Weight148.17 g/mol
Exact Mass147.96
IUPAC Namedifluoro(fluoromethylsulfanyl)methanethiol
SMILESFCSC(F)(F)S
InChIInChI=1S/C2H3F3S2/c3-1-7-2(4,5)6/h6H,1H2
InChIKeyBMEHQTZNYGXXTC-UHFFFAOYSA-N
XLogP2.13
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of difluoro(fluoromethylsulfanyl)methanethiol?
The IUPAC name of difluoro(fluoromethylsulfanyl)methanethiol (CID 175473579) is difluoro(fluoromethylsulfanyl)methanethiol.
What is the SMILES notation for difluoro(fluoromethylsulfanyl)methanethiol?
The canonical SMILES for difluoro(fluoromethylsulfanyl)methanethiol is FCSC(F)(F)S.
What is the InChIKey of difluoro(fluoromethylsulfanyl)methanethiol?
The InChIKey is BMEHQTZNYGXXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F3S2/c3-1-7-2(4,5)6/h6H,1H2.
What are the key properties of difluoro(fluoromethylsulfanyl)methanethiol?
difluoro(fluoromethylsulfanyl)methanethiol has a molecular weight of 148.17 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro(fluoromethylsulfanyl)methanethiol is sourced from PubChem (CID 175473579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).