N,N-dimethylformamide;sulfur monoxide

C3H7NO2S — CID 87147971

IUPACN,N-dimethylformamide;sulfur monoxide
SMILESCN(C)C=O.O=S
InChIInChI=1S/C3H7NO.OS/c1-4(2)3-5;1-2/h3H,1-2H3;
InChIKeyDFIKMMCGMGRCPJ-UHFFFAOYSA-N
MW121.16 g/mol
LogP-0.63
Rot. Bonds1

About N,N-dimethylformamide;sulfur monoxide

N,N-dimethylformamide;sulfur monoxide (PubChem CID 87147971) has the molecular formula C3H7NO2S and a molecular weight of 121.16 g/mol. Its IUPAC name is N,N-dimethylformamide;sulfur monoxide.

Molecular Properties

Compound NameN,N-dimethylformamide;sulfur monoxide
PubChem CID87147971
Molecular FormulaC3H7NO2S
Molecular Weight121.16 g/mol
Exact Mass121.02
IUPAC NameN,N-dimethylformamide;sulfur monoxide
SMILESCN(C)C=O.O=S
InChIInChI=1S/C3H7NO.OS/c1-4(2)3-5;1-2/h3H,1-2H3;
InChIKeyDFIKMMCGMGRCPJ-UHFFFAOYSA-N
XLogP-0.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 5-0.63
H-Bond Donors ≤ 50
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 N,N-dimethylformamide;sulfur monoxide?
The IUPAC name of N,N-dimethylformamide;sulfur monoxide (CID 87147971) is N,N-dimethylformamide;sulfur monoxide.
What is the SMILES notation for N,N-dimethylformamide;sulfur monoxide?
The canonical SMILES for N,N-dimethylformamide;sulfur monoxide is CN(C)C=O.O=S.
What is the InChIKey of N,N-dimethylformamide;sulfur monoxide?
The InChIKey is DFIKMMCGMGRCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.OS/c1-4(2)3-5;1-2/h3H,1-2H3;.
What are the key properties of N,N-dimethylformamide;sulfur monoxide?
N,N-dimethylformamide;sulfur monoxide has a molecular weight of 121.16 g/mol, XLogP of -0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;sulfur monoxide is sourced from PubChem (CID 87147971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).