(carbonofluoridoylamino)sulfanylcarbamic acid

C2H3FN2O3S — CID 23317742

IUPAC(carbonofluoridoylamino)sulfanylcarbamic acid
SMILESO=C(O)NSNC(=O)F
InChIInChI=1S/C2H3FN2O3S/c3-1(6)4-9-5-2(7)8/h5H,(H,4,6)(H,7,8)
InChIKeyGBQGZLMJIPPINJ-UHFFFAOYSA-N
MW154.12 g/mol
LogP0.50
Rot. Bonds2

About (carbonofluoridoylamino)sulfanylcarbamic acid

(carbonofluoridoylamino)sulfanylcarbamic acid (PubChem CID 23317742) has the molecular formula C2H3FN2O3S and a molecular weight of 154.12 g/mol. Its IUPAC name is (carbonofluoridoylamino)sulfanylcarbamic acid.

Molecular Properties

Compound Name(carbonofluoridoylamino)sulfanylcarbamic acid
PubChem CID23317742
Molecular FormulaC2H3FN2O3S
Molecular Weight154.12 g/mol
Exact Mass153.98
IUPAC Name(carbonofluoridoylamino)sulfanylcarbamic acid
SMILESO=C(O)NSNC(=O)F
InChIInChI=1S/C2H3FN2O3S/c3-1(6)4-9-5-2(7)8/h5H,(H,4,6)(H,7,8)
InChIKeyGBQGZLMJIPPINJ-UHFFFAOYSA-N
XLogP0.50
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (carbonofluoridoylamino)sulfanylcarbamic acid?
The IUPAC name of (carbonofluoridoylamino)sulfanylcarbamic acid (CID 23317742) is (carbonofluoridoylamino)sulfanylcarbamic acid.
What is the SMILES notation for (carbonofluoridoylamino)sulfanylcarbamic acid?
The canonical SMILES for (carbonofluoridoylamino)sulfanylcarbamic acid is O=C(O)NSNC(=O)F.
What is the InChIKey of (carbonofluoridoylamino)sulfanylcarbamic acid?
The InChIKey is GBQGZLMJIPPINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3FN2O3S/c3-1(6)4-9-5-2(7)8/h5H,(H,4,6)(H,7,8).
What are the key properties of (carbonofluoridoylamino)sulfanylcarbamic acid?
(carbonofluoridoylamino)sulfanylcarbamic acid has a molecular weight of 154.12 g/mol, XLogP of 0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (carbonofluoridoylamino)sulfanylcarbamic acid is sourced from PubChem (CID 23317742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).