formamide;sulfur dioxide;hydrochloride

CH4ClNO3S — CID 174946171

IUPACformamide;sulfur dioxide;hydrochloride
SMILESCl.NC=O.O=S=O
InChIInChI=1S/CH3NO.ClH.O2S/c2-1-3;;1-3-2/h1H,(H2,2,3);1H;
InChIKeyNBRAUEPEZLJGCR-UHFFFAOYSA-N
MW145.57 g/mol
LogP-1.15
Rot. Bonds

About formamide;sulfur dioxide;hydrochloride

formamide;sulfur dioxide;hydrochloride (PubChem CID 174946171) has the molecular formula CH4ClNO3S and a molecular weight of 145.57 g/mol. Its IUPAC name is formamide;sulfur dioxide;hydrochloride.

Molecular Properties

Compound Nameformamide;sulfur dioxide;hydrochloride
PubChem CID174946171
Molecular FormulaCH4ClNO3S
Molecular Weight145.57 g/mol
Exact Mass144.96
IUPAC Nameformamide;sulfur dioxide;hydrochloride
SMILESCl.NC=O.O=S=O
InChIInChI=1S/CH3NO.ClH.O2S/c2-1-3;;1-3-2/h1H,(H2,2,3);1H;
InChIKeyNBRAUEPEZLJGCR-UHFFFAOYSA-N
XLogP-1.15
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.57
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 dioxide;hydrochloride?
The IUPAC name of formamide;sulfur dioxide;hydrochloride (CID 174946171) is formamide;sulfur dioxide;hydrochloride.
What is the SMILES notation for formamide;sulfur dioxide;hydrochloride?
The canonical SMILES for formamide;sulfur dioxide;hydrochloride is Cl.NC=O.O=S=O.
What is the InChIKey of formamide;sulfur dioxide;hydrochloride?
The InChIKey is NBRAUEPEZLJGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NO.ClH.O2S/c2-1-3;;1-3-2/h1H,(H2,2,3);1H;.
What are the key properties of formamide;sulfur dioxide;hydrochloride?
formamide;sulfur dioxide;hydrochloride has a molecular weight of 145.57 g/mol, XLogP of -1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;sulfur dioxide;hydrochloride is sourced from PubChem (CID 174946171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).