carbamic acid;N-sulfanylidenecarbamoyl fluoride

C2H3FN2O3S — CID 88675912

IUPACcarbamic acid;N-sulfanylidenecarbamoyl fluoride
SMILESNC(=O)O.O=C(F)N=S
InChIInChI=1S/CFNOS.CH3NO2/c2-1(4)3-5;2-1(3)4/h;2H2,(H,3,4)
InChIKeyQPSCUSPCOVXELC-UHFFFAOYSA-N
MW154.12 g/mol
LogP0.43
Rot. Bonds

About carbamic acid;N-sulfanylidenecarbamoyl fluoride

carbamic acid;N-sulfanylidenecarbamoyl fluoride (PubChem CID 88675912) has the molecular formula C2H3FN2O3S and a molecular weight of 154.12 g/mol. Its IUPAC name is carbamic acid;N-sulfanylidenecarbamoyl fluoride.

Molecular Properties

Compound Namecarbamic acid;N-sulfanylidenecarbamoyl fluoride
PubChem CID88675912
Molecular FormulaC2H3FN2O3S
Molecular Weight154.12 g/mol
Exact Mass153.98
IUPAC Namecarbamic acid;N-sulfanylidenecarbamoyl fluoride
SMILESNC(=O)O.O=C(F)N=S
InChIInChI=1S/CFNOS.CH3NO2/c2-1(4)3-5;2-1(3)4/h;2H2,(H,3,4)
InChIKeyQPSCUSPCOVXELC-UHFFFAOYSA-N
XLogP0.43
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbamic acid;N-sulfanylidenecarbamoyl fluoride?
The IUPAC name of carbamic acid;N-sulfanylidenecarbamoyl fluoride (CID 88675912) is carbamic acid;N-sulfanylidenecarbamoyl fluoride.
What is the SMILES notation for carbamic acid;N-sulfanylidenecarbamoyl fluoride?
The canonical SMILES for carbamic acid;N-sulfanylidenecarbamoyl fluoride is NC(=O)O.O=C(F)N=S.
What is the InChIKey of carbamic acid;N-sulfanylidenecarbamoyl fluoride?
The InChIKey is QPSCUSPCOVXELC-UHFFFAOYSA-N. The full InChI is InChI=1S/CFNOS.CH3NO2/c2-1(4)3-5;2-1(3)4/h;2H2,(H,3,4).
What are the key properties of carbamic acid;N-sulfanylidenecarbamoyl fluoride?
carbamic acid;N-sulfanylidenecarbamoyl fluoride has a molecular weight of 154.12 g/mol, XLogP of 0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;N-sulfanylidenecarbamoyl fluoride is sourced from PubChem (CID 88675912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).