dimethylcarbamoyl N-hydroxymethanimidothioate

C4H8N2O2S — CID 154243487

IUPACdimethylcarbamoyl N-hydroxymethanimidothioate
SMILESCN(C)C(=O)SC=NO
InChIInChI=1S/C4H8N2O2S/c1-6(2)4(7)9-3-5-8/h3,8H,1-2H3
InChIKeyFONHKRFZADCQTK-UHFFFAOYSA-N
MW148.19 g/mol
LogP0.82
Rot. Bonds1

About dimethylcarbamoyl N-hydroxymethanimidothioate

dimethylcarbamoyl N-hydroxymethanimidothioate (PubChem CID 154243487) has the molecular formula C4H8N2O2S and a molecular weight of 148.19 g/mol. Its IUPAC name is dimethylcarbamoyl N-hydroxymethanimidothioate.

Molecular Properties

Compound Namedimethylcarbamoyl N-hydroxymethanimidothioate
PubChem CID154243487
Molecular FormulaC4H8N2O2S
Molecular Weight148.19 g/mol
Exact Mass148.03
IUPAC Namedimethylcarbamoyl N-hydroxymethanimidothioate
SMILESCN(C)C(=O)SC=NO
InChIInChI=1S/C4H8N2O2S/c1-6(2)4(7)9-3-5-8/h3,8H,1-2H3
InChIKeyFONHKRFZADCQTK-UHFFFAOYSA-N
XLogP0.82
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.19
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethylcarbamoyl N-hydroxymethanimidothioate?
The IUPAC name of dimethylcarbamoyl N-hydroxymethanimidothioate (CID 154243487) is dimethylcarbamoyl N-hydroxymethanimidothioate.
What is the SMILES notation for dimethylcarbamoyl N-hydroxymethanimidothioate?
The canonical SMILES for dimethylcarbamoyl N-hydroxymethanimidothioate is CN(C)C(=O)SC=NO.
What is the InChIKey of dimethylcarbamoyl N-hydroxymethanimidothioate?
The InChIKey is FONHKRFZADCQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2S/c1-6(2)4(7)9-3-5-8/h3,8H,1-2H3.
What are the key properties of dimethylcarbamoyl N-hydroxymethanimidothioate?
dimethylcarbamoyl N-hydroxymethanimidothioate has a molecular weight of 148.19 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylcarbamoyl N-hydroxymethanimidothioate is sourced from PubChem (CID 154243487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).