azane;fluoromethanethioic S-acid

CH4FNOS — CID 175575911

IUPACazane;fluoromethanethioic S-acid
SMILESN.O=C(F)S
InChIInChI=1S/CHFOS.H3N/c2-1(3)4;/h(H,3,4);1H3
InChIKeyITRARLMWVCPEIJ-UHFFFAOYSA-N
MW97.11 g/mol
LogP1.17
Rot. Bonds

About azane;fluoromethanethioic S-acid

azane;fluoromethanethioic S-acid (PubChem CID 175575911) has the molecular formula CH4FNOS and a molecular weight of 97.11 g/mol. Its IUPAC name is azane;fluoromethanethioic S-acid.

Molecular Properties

Compound Nameazane;fluoromethanethioic S-acid
PubChem CID175575911
Molecular FormulaCH4FNOS
Molecular Weight97.11 g/mol
Exact Mass97.00
IUPAC Nameazane;fluoromethanethioic S-acid
SMILESN.O=C(F)S
InChIInChI=1S/CHFOS.H3N/c2-1(3)4;/h(H,3,4);1H3
InChIKeyITRARLMWVCPEIJ-UHFFFAOYSA-N
XLogP1.17
TPSA52.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.11
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;fluoromethanethioic S-acid?
The IUPAC name of azane;fluoromethanethioic S-acid (CID 175575911) is azane;fluoromethanethioic S-acid.
What is the SMILES notation for azane;fluoromethanethioic S-acid?
The canonical SMILES for azane;fluoromethanethioic S-acid is N.O=C(F)S.
What is the InChIKey of azane;fluoromethanethioic S-acid?
The InChIKey is ITRARLMWVCPEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/CHFOS.H3N/c2-1(3)4;/h(H,3,4);1H3.
What are the key properties of azane;fluoromethanethioic S-acid?
azane;fluoromethanethioic S-acid has a molecular weight of 97.11 g/mol, XLogP of 1.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;fluoromethanethioic S-acid is sourced from PubChem (CID 175575911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).