isocyanic acid;sulfane

CH3NOS — CID 161242825

IUPACisocyanic acid;sulfane
SMILESN=C=O.S
InChIInChI=1S/CHNO.H2S/c2-1-3;/h2H;1H2
InChIKeyZSUFBTFNOLSPRF-UHFFFAOYSA-N
MW77.11 g/mol
LogP0.01
Rot. Bonds

About isocyanic acid;sulfane

isocyanic acid;sulfane (PubChem CID 161242825) has the molecular formula CH3NOS and a molecular weight of 77.11 g/mol. Its IUPAC name is isocyanic acid;sulfane.

Molecular Properties

Compound Nameisocyanic acid;sulfane
PubChem CID161242825
Molecular FormulaCH3NOS
Molecular Weight77.11 g/mol
Exact Mass76.99
IUPAC Nameisocyanic acid;sulfane
SMILESN=C=O.S
InChIInChI=1S/CHNO.H2S/c2-1-3;/h2H;1H2
InChIKeyZSUFBTFNOLSPRF-UHFFFAOYSA-N
XLogP0.01
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50077.11
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of isocyanic acid;sulfane?
The IUPAC name of isocyanic acid;sulfane (CID 161242825) is isocyanic acid;sulfane.
What is the SMILES notation for isocyanic acid;sulfane?
The canonical SMILES for isocyanic acid;sulfane is N=C=O.S.
What is the InChIKey of isocyanic acid;sulfane?
The InChIKey is ZSUFBTFNOLSPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/CHNO.H2S/c2-1-3;/h2H;1H2.
What are the key properties of isocyanic acid;sulfane?
isocyanic acid;sulfane has a molecular weight of 77.11 g/mol, XLogP of 0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanic acid;sulfane is sourced from PubChem (CID 161242825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).