benzene;thionyl dichloride

C6H6Cl2OS — CID 18188255

IUPACbenzene;thionyl dichloride
SMILESO=S(Cl)Cl.c1ccccc1
InChIInChI=1S/C6H6.Cl2OS/c1-2-4-6-5-3-1;1-4(2)3/h1-6H;
InChIKeyUUQDXXQXJRUPMA-UHFFFAOYSA-N
MW197.09 g/mol
LogP2.73
Rot. Bonds

About benzene;thionyl dichloride

benzene;thionyl dichloride (PubChem CID 18188255) has the molecular formula C6H6Cl2OS and a molecular weight of 197.09 g/mol. Its IUPAC name is benzene;thionyl dichloride.

Molecular Properties

Compound Namebenzene;thionyl dichloride
PubChem CID18188255
Molecular FormulaC6H6Cl2OS
Molecular Weight197.09 g/mol
Exact Mass195.95
IUPAC Namebenzene;thionyl dichloride
SMILESO=S(Cl)Cl.c1ccccc1
InChIInChI=1S/C6H6.Cl2OS/c1-2-4-6-5-3-1;1-4(2)3/h1-6H;
InChIKeyUUQDXXQXJRUPMA-UHFFFAOYSA-N
XLogP2.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.09
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of benzene;thionyl dichloride?
The IUPAC name of benzene;thionyl dichloride (CID 18188255) is benzene;thionyl dichloride.
What is the SMILES notation for benzene;thionyl dichloride?
The canonical SMILES for benzene;thionyl dichloride is O=S(Cl)Cl.c1ccccc1.
What is the InChIKey of benzene;thionyl dichloride?
The InChIKey is UUQDXXQXJRUPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.Cl2OS/c1-2-4-6-5-3-1;1-4(2)3/h1-6H;.
What are the key properties of benzene;thionyl dichloride?
benzene;thionyl dichloride has a molecular weight of 197.09 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;thionyl dichloride is sourced from PubChem (CID 18188255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).