N,N-dimethylformamide;methylsulfanylmethane

C5H13NOS — CID 158808099

IUPACN,N-dimethylformamide;methylsulfanylmethane
SMILESCN(C)C=O.CSC
InChIInChI=1S/C3H7NO.C2H6S/c1-4(2)3-5;1-3-2/h3H,1-2H3;1-2H3
InChIKeyIUIKQDHMWITRPT-UHFFFAOYSA-N
MW135.23 g/mol
LogP0.68
Rot. Bonds1

About N,N-dimethylformamide;methylsulfanylmethane

N,N-dimethylformamide;methylsulfanylmethane (PubChem CID 158808099) has the molecular formula C5H13NOS and a molecular weight of 135.23 g/mol. Its IUPAC name is N,N-dimethylformamide;methylsulfanylmethane.

Molecular Properties

Compound NameN,N-dimethylformamide;methylsulfanylmethane
PubChem CID158808099
Molecular FormulaC5H13NOS
Molecular Weight135.23 g/mol
Exact Mass135.07
IUPAC NameN,N-dimethylformamide;methylsulfanylmethane
SMILESCN(C)C=O.CSC
InChIInChI=1S/C3H7NO.C2H6S/c1-4(2)3-5;1-3-2/h3H,1-2H3;1-2H3
InChIKeyIUIKQDHMWITRPT-UHFFFAOYSA-N
XLogP0.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.23
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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;methylsulfanylmethane?
The IUPAC name of N,N-dimethylformamide;methylsulfanylmethane (CID 158808099) is N,N-dimethylformamide;methylsulfanylmethane.
What is the SMILES notation for N,N-dimethylformamide;methylsulfanylmethane?
The canonical SMILES for N,N-dimethylformamide;methylsulfanylmethane is CN(C)C=O.CSC.
What is the InChIKey of N,N-dimethylformamide;methylsulfanylmethane?
The InChIKey is IUIKQDHMWITRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.C2H6S/c1-4(2)3-5;1-3-2/h3H,1-2H3;1-2H3.
What are the key properties of N,N-dimethylformamide;methylsulfanylmethane?
N,N-dimethylformamide;methylsulfanylmethane has a molecular weight of 135.23 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;methylsulfanylmethane is sourced from PubChem (CID 158808099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).