sulfanyl carbamoperoxoate

CH3NO3S — CID 138459846

IUPACsulfanyl carbamoperoxoate
SMILESNC(=O)OOS
InChIInChI=1S/CH3NO3S/c2-1(3)4-5-6/h6H,(H2,2,3)
InChIKeyNRWZKHSZHVVQAZ-UHFFFAOYSA-N
MW109.11 g/mol
LogP-0.14
Rot. Bonds1

About sulfanyl carbamoperoxoate

sulfanyl carbamoperoxoate (PubChem CID 138459846) has the molecular formula CH3NO3S and a molecular weight of 109.11 g/mol. Its IUPAC name is sulfanyl carbamoperoxoate.

Molecular Properties

Compound Namesulfanyl carbamoperoxoate
PubChem CID138459846
Molecular FormulaCH3NO3S
Molecular Weight109.11 g/mol
Exact Mass108.98
IUPAC Namesulfanyl carbamoperoxoate
SMILESNC(=O)OOS
InChIInChI=1S/CH3NO3S/c2-1(3)4-5-6/h6H,(H2,2,3)
InChIKeyNRWZKHSZHVVQAZ-UHFFFAOYSA-N
XLogP-0.14
TPSA61.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.11
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

disodium;carbamoyl carbamoperoxoate;hydride
CID 173126478
amino carbamoperoxoate
CID 154219003
ruthenium;urea
CID 161030938
carbamoyl carbamate;dihydrochloride
CID 175326234
[dicarbamoyloxy(tricarbamoyloxymethoxy)methyl] carbamate
CID 163462835
diamino(113C)methanone
CID 636363
CID 87646890
CID 87646890
carbamothioic S-acid;hafnium
CID 89401322
bis(carbamothioic S-acid);hydrazine
CID 175156320
azane;carbamothioic S-acid
CID 12743068
3-iodoprop-1-ynyl carbamoperoxoate
CID 88504916
carbamoyloxysulfanyl carbamate
CID 54354382

Frequently Asked Questions

What is the IUPAC name of sulfanyl carbamoperoxoate?
The IUPAC name of sulfanyl carbamoperoxoate (CID 138459846) is sulfanyl carbamoperoxoate.
What is the SMILES notation for sulfanyl carbamoperoxoate?
The canonical SMILES for sulfanyl carbamoperoxoate is NC(=O)OOS.
What is the InChIKey of sulfanyl carbamoperoxoate?
The InChIKey is NRWZKHSZHVVQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NO3S/c2-1(3)4-5-6/h6H,(H2,2,3).
What are the key properties of sulfanyl carbamoperoxoate?
sulfanyl carbamoperoxoate has a molecular weight of 109.11 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sulfanyl carbamoperoxoate is sourced from PubChem (CID 138459846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).