azane;trifluoromethanethiol

CH4F3NS — CID 174929328

IUPACazane;trifluoromethanethiol
SMILESFC(F)(F)S.N
InChIInChI=1S/CHF3S.H3N/c2-1(3,4)5;/h5H;1H3
InChIKeyIKNXYLDZDICYHC-UHFFFAOYSA-N
MW119.11 g/mol
LogP1.60
Rot. Bonds

About azane;trifluoromethanethiol

azane;trifluoromethanethiol (PubChem CID 174929328) has the molecular formula CH4F3NS and a molecular weight of 119.11 g/mol. Its IUPAC name is azane;trifluoromethanethiol.

Molecular Properties

Compound Nameazane;trifluoromethanethiol
PubChem CID174929328
Molecular FormulaCH4F3NS
Molecular Weight119.11 g/mol
Exact Mass119.00
IUPAC Nameazane;trifluoromethanethiol
SMILESFC(F)(F)S.N
InChIInChI=1S/CHF3S.H3N/c2-1(3,4)5;/h5H;1H3
InChIKeyIKNXYLDZDICYHC-UHFFFAOYSA-N
XLogP1.60
TPSA35.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.11
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;trifluoromethanethiol?
The IUPAC name of azane;trifluoromethanethiol (CID 174929328) is azane;trifluoromethanethiol.
What is the SMILES notation for azane;trifluoromethanethiol?
The canonical SMILES for azane;trifluoromethanethiol is FC(F)(F)S.N.
What is the InChIKey of azane;trifluoromethanethiol?
The InChIKey is IKNXYLDZDICYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/CHF3S.H3N/c2-1(3,4)5;/h5H;1H3.
What are the key properties of azane;trifluoromethanethiol?
azane;trifluoromethanethiol has a molecular weight of 119.11 g/mol, XLogP of 1.60, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;trifluoromethanethiol is sourced from PubChem (CID 174929328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).