methyl N'-sulfamoylcarbamimidothioate

C2H7N3O2S2 — CID 86147614

IUPACmethyl N'-sulfamoylcarbamimidothioate
SMILESCSC(N)=NS(N)(=O)=O
InChIInChI=1S/C2H7N3O2S2/c1-8-2(3)5-9(4,6)7/h1H3,(H2,3,5)(H2,4,6,7)
InChIKeyFAGZEARHURBHAA-UHFFFAOYSA-N
MW169.23 g/mol
LogP-1.13
Rot. Bonds1

About methyl N'-sulfamoylcarbamimidothioate

methyl N'-sulfamoylcarbamimidothioate (PubChem CID 86147614) has the molecular formula C2H7N3O2S2 and a molecular weight of 169.23 g/mol. Its IUPAC name is methyl N'-sulfamoylcarbamimidothioate.

Molecular Properties

Compound Namemethyl N'-sulfamoylcarbamimidothioate
PubChem CID86147614
Molecular FormulaC2H7N3O2S2
Molecular Weight169.23 g/mol
Exact Mass169.00
IUPAC Namemethyl N'-sulfamoylcarbamimidothioate
SMILESCSC(N)=NS(N)(=O)=O
InChIInChI=1S/C2H7N3O2S2/c1-8-2(3)5-9(4,6)7/h1H3,(H2,3,5)(H2,4,6,7)
InChIKeyFAGZEARHURBHAA-UHFFFAOYSA-N
XLogP-1.13
TPSA98.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl N'-methylsulfonylcarbamimidothioate
CID 10654681
hydron;methyl N'-aminocarbamimidothioate;iodide
CID 90229300
methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate
CID 5368528
dimethoxy(sulfamoylimino)methane
CID 134892030
methyl N'-(dihydroxyamino)carbamimidothioate
CID 4542680
methyl N'-carbamothioylcarbamimidothioate
CID 11744796
methyl N'-[(E)-N-(benzenesulfonyl)-C-phenylcarbonimidoyl]carbamimidothioate
CID 44724565
methyl (NE)-N-[amino(methylsulfanyl)methylidene]carbamate
CID 6509661
methyl N'-ethylcarbamimidothioate;hydrochloride
CID 158305401
N'-methyl-N-sulfamoylethanimidamide
CID 20709676
methyl N'-ethylphosphanylcarbamimidothioate
CID 123428742
methyl N'-cyclopropylcarbamimidothioate;hydroiodide
CID 18622014

Frequently Asked Questions

What is the IUPAC name of methyl N'-sulfamoylcarbamimidothioate?
The IUPAC name of methyl N'-sulfamoylcarbamimidothioate (CID 86147614) is methyl N'-sulfamoylcarbamimidothioate.
What is the SMILES notation for methyl N'-sulfamoylcarbamimidothioate?
The canonical SMILES for methyl N'-sulfamoylcarbamimidothioate is CSC(N)=NS(N)(=O)=O.
What is the InChIKey of methyl N'-sulfamoylcarbamimidothioate?
The InChIKey is FAGZEARHURBHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N3O2S2/c1-8-2(3)5-9(4,6)7/h1H3,(H2,3,5)(H2,4,6,7).
What are the key properties of methyl N'-sulfamoylcarbamimidothioate?
methyl N'-sulfamoylcarbamimidothioate has a molecular weight of 169.23 g/mol, XLogP of -1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-sulfamoylcarbamimidothioate is sourced from PubChem (CID 86147614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).