cyanocyanamide;sulfane

C2H3N3S — CID 87898901

IUPACcyanocyanamide;sulfane
SMILESN#CNC#N.S
InChIInChI=1S/C2HN3.H2S/c3-1-5-2-4;/h5H;1H2
InChIKeyWKVXJCLJXZZNBT-UHFFFAOYSA-N
MW101.13 g/mol
LogP-0.35
Rot. Bonds

About cyanocyanamide;sulfane

cyanocyanamide;sulfane (PubChem CID 87898901) has the molecular formula C2H3N3S and a molecular weight of 101.13 g/mol. Its IUPAC name is cyanocyanamide;sulfane.

Molecular Properties

Compound Namecyanocyanamide;sulfane
PubChem CID87898901
Molecular FormulaC2H3N3S
Molecular Weight101.13 g/mol
Exact Mass101.00
IUPAC Namecyanocyanamide;sulfane
SMILESN#CNC#N.S
InChIInChI=1S/C2HN3.H2S/c3-1-5-2-4;/h5H;1H2
InChIKeyWKVXJCLJXZZNBT-UHFFFAOYSA-N
XLogP-0.35
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.13
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyanocyanamide;sulfane?
The IUPAC name of cyanocyanamide;sulfane (CID 87898901) is cyanocyanamide;sulfane.
What is the SMILES notation for cyanocyanamide;sulfane?
The canonical SMILES for cyanocyanamide;sulfane is N#CNC#N.S.
What is the InChIKey of cyanocyanamide;sulfane?
The InChIKey is WKVXJCLJXZZNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HN3.H2S/c3-1-5-2-4;/h5H;1H2.
What are the key properties of cyanocyanamide;sulfane?
cyanocyanamide;sulfane has a molecular weight of 101.13 g/mol, XLogP of -0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyanocyanamide;sulfane is sourced from PubChem (CID 87898901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).