N-isocyanatosulfanylhydroxylamine

CH2N2O2S — CID 148547790

IUPACN-isocyanatosulfanylhydroxylamine
SMILESO=C=NSNO
InChIInChI=1S/CH2N2O2S/c4-1-2-6-3-5/h3,5H
InChIKeyVZYYELXNLYHORB-UHFFFAOYSA-N
MW106.11 g/mol
LogP-0.14
Rot. Bonds2

About N-isocyanatosulfanylhydroxylamine

N-isocyanatosulfanylhydroxylamine (PubChem CID 148547790) has the molecular formula CH2N2O2S and a molecular weight of 106.11 g/mol. Its IUPAC name is N-isocyanatosulfanylhydroxylamine.

Molecular Properties

Compound NameN-isocyanatosulfanylhydroxylamine
PubChem CID148547790
Molecular FormulaCH2N2O2S
Molecular Weight106.11 g/mol
Exact Mass105.98
IUPAC NameN-isocyanatosulfanylhydroxylamine
SMILESO=C=NSNO
InChIInChI=1S/CH2N2O2S/c4-1-2-6-3-5/h3,5H
InChIKeyVZYYELXNLYHORB-UHFFFAOYSA-N
XLogP-0.14
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.11
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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 N-isocyanatosulfanylhydroxylamine?
The IUPAC name of N-isocyanatosulfanylhydroxylamine (CID 148547790) is N-isocyanatosulfanylhydroxylamine.
What is the SMILES notation for N-isocyanatosulfanylhydroxylamine?
The canonical SMILES for N-isocyanatosulfanylhydroxylamine is O=C=NSNO.
What is the InChIKey of N-isocyanatosulfanylhydroxylamine?
The InChIKey is VZYYELXNLYHORB-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2N2O2S/c4-1-2-6-3-5/h3,5H.
What are the key properties of N-isocyanatosulfanylhydroxylamine?
N-isocyanatosulfanylhydroxylamine has a molecular weight of 106.11 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-isocyanatosulfanylhydroxylamine is sourced from PubChem (CID 148547790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).