N-formyl-N-methylsulfanylformamide

C3H5NO2S — CID 173292578

IUPACN-formyl-N-methylsulfanylformamide
SMILESCSN(C=O)C=O
InChIInChI=1S/C3H5NO2S/c1-7-4(2-5)3-6/h2-3H,1H3
InChIKeyDXZCNHJCFDGOCT-UHFFFAOYSA-N
MW119.14 g/mol
LogP-0.12
Rot. Bonds3

About N-formyl-N-methylsulfanylformamide

N-formyl-N-methylsulfanylformamide (PubChem CID 173292578) has the molecular formula C3H5NO2S and a molecular weight of 119.14 g/mol. Its IUPAC name is N-formyl-N-methylsulfanylformamide.

Molecular Properties

Compound NameN-formyl-N-methylsulfanylformamide
PubChem CID173292578
Molecular FormulaC3H5NO2S
Molecular Weight119.14 g/mol
Exact Mass119.00
IUPAC NameN-formyl-N-methylsulfanylformamide
SMILESCSN(C=O)C=O
InChIInChI=1S/C3H5NO2S/c1-7-4(2-5)3-6/h2-3H,1H3
InChIKeyDXZCNHJCFDGOCT-UHFFFAOYSA-N
XLogP-0.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.14
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-formyl-N-methylsulfanylformamide?
The IUPAC name of N-formyl-N-methylsulfanylformamide (CID 173292578) is N-formyl-N-methylsulfanylformamide.
What is the SMILES notation for N-formyl-N-methylsulfanylformamide?
The canonical SMILES for N-formyl-N-methylsulfanylformamide is CSN(C=O)C=O.
What is the InChIKey of N-formyl-N-methylsulfanylformamide?
The InChIKey is DXZCNHJCFDGOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO2S/c1-7-4(2-5)3-6/h2-3H,1H3.
What are the key properties of N-formyl-N-methylsulfanylformamide?
N-formyl-N-methylsulfanylformamide has a molecular weight of 119.14 g/mol, XLogP of -0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-N-methylsulfanylformamide is sourced from PubChem (CID 173292578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).