N,N-dimethylformamide;sulfane

C3H9NOS — CID 22616709

IUPACN,N-dimethylformamide;sulfane
SMILESCN(C)C=O.S
InChIInChI=1S/C3H7NO.H2S/c1-4(2)3-5;/h3H,1-2H3;1H2
InChIKeySVPUUXTXNGMZOT-UHFFFAOYSA-N
MW107.18 g/mol
LogP-0.18
Rot. Bonds1

About N,N-dimethylformamide;sulfane

N,N-dimethylformamide;sulfane (PubChem CID 22616709) has the molecular formula C3H9NOS and a molecular weight of 107.18 g/mol. Its IUPAC name is N,N-dimethylformamide;sulfane.

Molecular Properties

Compound NameN,N-dimethylformamide;sulfane
PubChem CID22616709
Molecular FormulaC3H9NOS
Molecular Weight107.18 g/mol
Exact Mass107.04
IUPAC NameN,N-dimethylformamide;sulfane
SMILESCN(C)C=O.S
InChIInChI=1S/C3H7NO.H2S/c1-4(2)3-5;/h3H,1-2H3;1H2
InChIKeySVPUUXTXNGMZOT-UHFFFAOYSA-N
XLogP-0.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.18
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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;sulfane?
The IUPAC name of N,N-dimethylformamide;sulfane (CID 22616709) is N,N-dimethylformamide;sulfane.
What is the SMILES notation for N,N-dimethylformamide;sulfane?
The canonical SMILES for N,N-dimethylformamide;sulfane is CN(C)C=O.S.
What is the InChIKey of N,N-dimethylformamide;sulfane?
The InChIKey is SVPUUXTXNGMZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.H2S/c1-4(2)3-5;/h3H,1-2H3;1H2.
What are the key properties of N,N-dimethylformamide;sulfane?
N,N-dimethylformamide;sulfane has a molecular weight of 107.18 g/mol, XLogP of -0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;sulfane is sourced from PubChem (CID 22616709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).