N,N-dimethylformamide;methanethiol

C4H11NOS — CID 86741828

IUPACN,N-dimethylformamide;methanethiol
SMILESCN(C)C=O.CS
InChIInChI=1S/C3H7NO.CH4S/c1-4(2)3-5;1-2/h3H,1-2H3;2H,1H3
InChIKeyXJXVVQHIQXKAEV-UHFFFAOYSA-N
MW121.20 g/mol
LogP0.25
Rot. Bonds1

About N,N-dimethylformamide;methanethiol

N,N-dimethylformamide;methanethiol (PubChem CID 86741828) has the molecular formula C4H11NOS and a molecular weight of 121.20 g/mol. Its IUPAC name is N,N-dimethylformamide;methanethiol.

Molecular Properties

Compound NameN,N-dimethylformamide;methanethiol
PubChem CID86741828
Molecular FormulaC4H11NOS
Molecular Weight121.20 g/mol
Exact Mass121.06
IUPAC NameN,N-dimethylformamide;methanethiol
SMILESCN(C)C=O.CS
InChIInChI=1S/C3H7NO.CH4S/c1-4(2)3-5;1-2/h3H,1-2H3;2H,1H3
InChIKeyXJXVVQHIQXKAEV-UHFFFAOYSA-N
XLogP0.25
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.20
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;methanethiol?
The IUPAC name of N,N-dimethylformamide;methanethiol (CID 86741828) is N,N-dimethylformamide;methanethiol.
What is the SMILES notation for N,N-dimethylformamide;methanethiol?
The canonical SMILES for N,N-dimethylformamide;methanethiol is CN(C)C=O.CS.
What is the InChIKey of N,N-dimethylformamide;methanethiol?
The InChIKey is XJXVVQHIQXKAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.CH4S/c1-4(2)3-5;1-2/h3H,1-2H3;2H,1H3.
What are the key properties of N,N-dimethylformamide;methanethiol?
N,N-dimethylformamide;methanethiol has a molecular weight of 121.20 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;methanethiol is sourced from PubChem (CID 86741828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).