formamide;sulfur trioxide

CH3NO4S — CID 19427588

IUPACformamide;sulfur trioxide
SMILESNC=O.O=S(=O)=O
InChIInChI=1S/CH3NO.O3S/c2-1-3;1-4(2)3/h1H,(H2,2,3);
InChIKeyHXMFFJOXNYSTLX-UHFFFAOYSA-N
MW125.10 g/mol
LogP-1.90
Rot. Bonds

About formamide;sulfur trioxide

formamide;sulfur trioxide (PubChem CID 19427588) has the molecular formula CH3NO4S and a molecular weight of 125.10 g/mol. Its IUPAC name is formamide;sulfur trioxide.

Molecular Properties

Compound Nameformamide;sulfur trioxide
PubChem CID19427588
Molecular FormulaCH3NO4S
Molecular Weight125.10 g/mol
Exact Mass124.98
IUPAC Nameformamide;sulfur trioxide
SMILESNC=O.O=S(=O)=O
InChIInChI=1S/CH3NO.O3S/c2-1-3;1-4(2)3/h1H,(H2,2,3);
InChIKeyHXMFFJOXNYSTLX-UHFFFAOYSA-N
XLogP-1.90
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.10
LogP ≤ 5-1.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formamide;sulfur trioxide?
The IUPAC name of formamide;sulfur trioxide (CID 19427588) is formamide;sulfur trioxide.
What is the SMILES notation for formamide;sulfur trioxide?
The canonical SMILES for formamide;sulfur trioxide is NC=O.O=S(=O)=O.
What is the InChIKey of formamide;sulfur trioxide?
The InChIKey is HXMFFJOXNYSTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NO.O3S/c2-1-3;1-4(2)3/h1H,(H2,2,3);.
What are the key properties of formamide;sulfur trioxide?
formamide;sulfur trioxide has a molecular weight of 125.10 g/mol, XLogP of -1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;sulfur trioxide is sourced from PubChem (CID 19427588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).