(sulfanylamino) hydrogen carbonate

CH3NO3S — CID 166522443

IUPAC(sulfanylamino) hydrogen carbonate
SMILESO=C(O)ONS
InChIInChI=1S/CH3NO3S/c3-1(4)5-2-6/h2,6H,(H,3,4)
InChIKeySOEVMENJFAQFKP-UHFFFAOYSA-N
MW109.11 g/mol
LogP0.03
Rot. Bonds1

About (sulfanylamino) hydrogen carbonate

(sulfanylamino) hydrogen carbonate (PubChem CID 166522443) has the molecular formula CH3NO3S and a molecular weight of 109.11 g/mol. Its IUPAC name is (sulfanylamino) hydrogen carbonate.

Molecular Properties

Compound Name(sulfanylamino) hydrogen carbonate
PubChem CID166522443
Molecular FormulaCH3NO3S
Molecular Weight109.11 g/mol
Exact Mass108.98
IUPAC Name(sulfanylamino) hydrogen carbonate
SMILESO=C(O)ONS
InChIInChI=1S/CH3NO3S/c3-1(4)5-2-6/h2,6H,(H,3,4)
InChIKeySOEVMENJFAQFKP-UHFFFAOYSA-N
XLogP0.03
TPSA58.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.11
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (sulfanylamino) hydrogen carbonate?
The IUPAC name of (sulfanylamino) hydrogen carbonate (CID 166522443) is (sulfanylamino) hydrogen carbonate.
What is the SMILES notation for (sulfanylamino) hydrogen carbonate?
The canonical SMILES for (sulfanylamino) hydrogen carbonate is O=C(O)ONS.
What is the InChIKey of (sulfanylamino) hydrogen carbonate?
The InChIKey is SOEVMENJFAQFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NO3S/c3-1(4)5-2-6/h2,6H,(H,3,4).
What are the key properties of (sulfanylamino) hydrogen carbonate?
(sulfanylamino) hydrogen carbonate has a molecular weight of 109.11 g/mol, XLogP of 0.03, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (sulfanylamino) hydrogen carbonate is sourced from PubChem (CID 166522443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).