dichloromethane;N,N-dimethylformamide;ethyl acetate;methylsulfinylmethane

C10H23Cl2NO4S — CID 158969728

IUPACdichloromethane;N,N-dimethylformamide;ethyl acetate;methylsulfinylmethane
SMILESCCOC(C)=O.CN(C)C=O.CS(C)=O.ClCCl
InChIInChI=1S/C4H8O2.C3H7NO.C2H6OS.CH2Cl2/c1-3-6-4(2)5;1-4(2)3-5;1-4(2)3;2-1-3/h3H2,1-2H3;3H,1-2H3;1-2H3;1H2
InChIKeyJNQPDQOHGJSUAX-UHFFFAOYSA-N
MW324.27 g/mol
LogP1.69
Rot. Bonds2

About dichloromethane;N,N-dimethylformamide;ethyl acetate;methylsulfinylmethane

dichloromethane;N,N-dimethylformamide;ethyl acetate;methylsulfinylmethane (PubChem CID 158969728) has the molecular formula C10H23Cl2NO4S and a molecular weight of 324.27 g/mol. Its IUPAC name is dichloromethane;N,N-dimethylformamide;ethyl acetate;methylsulfinylmethane.

Molecular Properties

Compound Namedichloromethane;N,N-dimethylformamide;ethyl acetate;methylsulfinylmethane
PubChem CID158969728
Molecular FormulaC10H23Cl2NO4S
Molecular Weight324.27 g/mol
Exact Mass323.07
IUPAC Namedichloromethane;N,N-dimethylformamide;ethyl acetate;methylsulfinylmethane
SMILESCCOC(C)=O.CN(C)C=O.CS(C)=O.ClCCl
InChIInChI=1S/C4H8O2.C3H7NO.C2H6OS.CH2Cl2/c1-3-6-4(2)5;1-4(2)3-5;1-4(2)3;2-1-3/h3H2,1-2H3;3H,1-2H3;1-2H3;1H2
InChIKeyJNQPDQOHGJSUAX-UHFFFAOYSA-N
XLogP1.69
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylformamide;ethyl acetate;hexane
CID 87063989
nonadecakis(dichloromethane);ethyl acetate
CID 172996515
(dichloromethane);ethyl acetate
CID 173005314
dichloromethane;ethane;ethyl acetate
CID 174366150
dichloromethane;N,N-dimethylformamide;propan-2-one
CID 172808068
benzene;dichloromethane;ethyl acetate
CID 160802901
dichloromethane;N,N-diethylethanamine;ethyl acetate;methanol
CID 22169411
hexakis(dichloromethane);ethyl acetate;bis(hexane)
CID 173231857
chlorosulfanium;ethyl acetate
CID 22238075
ethyl acetate;λ2-plumbane
CID 173068495
ethyl acetate;octacontahydrate
CID 173077486
ethyl acetate;pentacontahydrate
CID 173010597

Frequently Asked Questions

What is the IUPAC name of dichloromethane;N,N-dimethylformamide;ethyl acetate;methylsulfinylmethane?
The IUPAC name of dichloromethane;N,N-dimethylformamide;ethyl acetate;methylsulfinylmethane (CID 158969728) is dichloromethane;N,N-dimethylformamide;ethyl acetate;methylsulfinylmethane.
What is the SMILES notation for dichloromethane;N,N-dimethylformamide;ethyl acetate;methylsulfinylmethane?
The canonical SMILES for dichloromethane;N,N-dimethylformamide;ethyl acetate;methylsulfinylmethane is CCOC(C)=O.CN(C)C=O.CS(C)=O.ClCCl.
What is the InChIKey of dichloromethane;N,N-dimethylformamide;ethyl acetate;methylsulfinylmethane?
The InChIKey is JNQPDQOHGJSUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C3H7NO.C2H6OS.CH2Cl2/c1-3-6-4(2)5;1-4(2)3-5;1-4(2)3;2-1-3/h3H2,1-2H3;3H,1-2H3;1-2H3;1H2.
What are the key properties of dichloromethane;N,N-dimethylformamide;ethyl acetate;methylsulfinylmethane?
dichloromethane;N,N-dimethylformamide;ethyl acetate;methylsulfinylmethane has a molecular weight of 324.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;N,N-dimethylformamide;ethyl acetate;methylsulfinylmethane is sourced from PubChem (CID 158969728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).