methyl benzoate;sulfuryl dichloride;toluene

C15H16Cl2O4S — CID 162034075

IUPACmethyl benzoate;sulfuryl dichloride;toluene
SMILESCOC(=O)c1ccccc1.Cc1ccccc1.O=S(=O)(Cl)Cl
InChIInChI=1S/C8H8O2.C7H8.Cl2O2S/c1-10-8(9)7-5-3-2-4-6-7;1-7-5-3-2-4-6-7;1-5(2,3)4/h2-6H,1H3;2-6H,1H3;
InChIKeyYWKJVLYSVHOMSG-UHFFFAOYSA-N
MW363.26 g/mol
LogP4.18
Rot. Bonds1

About methyl benzoate;sulfuryl dichloride;toluene

methyl benzoate;sulfuryl dichloride;toluene (PubChem CID 162034075) has the molecular formula C15H16Cl2O4S and a molecular weight of 363.26 g/mol. Its IUPAC name is methyl benzoate;sulfuryl dichloride;toluene.

Molecular Properties

Compound Namemethyl benzoate;sulfuryl dichloride;toluene
PubChem CID162034075
Molecular FormulaC15H16Cl2O4S
Molecular Weight363.26 g/mol
Exact Mass362.01
IUPAC Namemethyl benzoate;sulfuryl dichloride;toluene
SMILESCOC(=O)c1ccccc1.Cc1ccccc1.O=S(=O)(Cl)Cl
InChIInChI=1S/C8H8O2.C7H8.Cl2O2S/c1-10-8(9)7-5-3-2-4-6-7;1-7-5-3-2-4-6-7;1-5(2,3)4/h2-6H,1H3;2-6H,1H3;
InChIKeyYWKJVLYSVHOMSG-UHFFFAOYSA-N
XLogP4.18
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methanol;methyl 4-methylbenzoate;toluene
CID 142226695
CID 157228504
CID 157228504
methyl benzoate;hydrate
CID 141218240
ethane;methoxymethane;methyl benzoate
CID 90999424
ethyl benzoate;sulfuryl dichloride
CID 159512060
methyl 4-methylbenzoate
CID 91113291
methyl 4-methylbenzoate
CID 7455
methyl benzoate azide
CID 161139797
(4-methoxycarbonylphenyl)-(4-methylphenyl)-phenylsulfanium
CID 164747030
bromobenzene;methyl benzoate
CID 175243928
methyl benzoate;(sulfamoylamino)benzene
CID 174928336
phenyl benzoate;sulfuryl dichloride
CID 162241119

Frequently Asked Questions

What is the IUPAC name of methyl benzoate;sulfuryl dichloride;toluene?
The IUPAC name of methyl benzoate;sulfuryl dichloride;toluene (CID 162034075) is methyl benzoate;sulfuryl dichloride;toluene.
What is the SMILES notation for methyl benzoate;sulfuryl dichloride;toluene?
The canonical SMILES for methyl benzoate;sulfuryl dichloride;toluene is COC(=O)c1ccccc1.Cc1ccccc1.O=S(=O)(Cl)Cl.
What is the InChIKey of methyl benzoate;sulfuryl dichloride;toluene?
The InChIKey is YWKJVLYSVHOMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C7H8.Cl2O2S/c1-10-8(9)7-5-3-2-4-6-7;1-7-5-3-2-4-6-7;1-5(2,3)4/h2-6H,1H3;2-6H,1H3;.
What are the key properties of methyl benzoate;sulfuryl dichloride;toluene?
methyl benzoate;sulfuryl dichloride;toluene has a molecular weight of 363.26 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl benzoate;sulfuryl dichloride;toluene is sourced from PubChem (CID 162034075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).