sulfane;toluene;dihydrochloride

C7H12Cl2S — CID 173359936

IUPACsulfane;toluene;dihydrochloride
SMILESCc1ccccc1.Cl.Cl.S
InChIInChI=1S/C7H8.2ClH.H2S/c1-7-5-3-2-4-6-7;;;/h2-6H,1H3;2*1H;1H2
InChIKeyXBIXXOONNGBSBO-UHFFFAOYSA-N
MW199.15 g/mol
LogP2.95
Rot. Bonds

About sulfane;toluene;dihydrochloride

sulfane;toluene;dihydrochloride (PubChem CID 173359936) has the molecular formula C7H12Cl2S and a molecular weight of 199.15 g/mol. Its IUPAC name is sulfane;toluene;dihydrochloride.

Molecular Properties

Compound Namesulfane;toluene;dihydrochloride
PubChem CID173359936
Molecular FormulaC7H12Cl2S
Molecular Weight199.15 g/mol
Exact Mass198.00
IUPAC Namesulfane;toluene;dihydrochloride
SMILESCc1ccccc1.Cl.Cl.S
InChIInChI=1S/C7H8.2ClH.H2S/c1-7-5-3-2-4-6-7;;;/h2-6H,1H3;2*1H;1H2
InChIKeyXBIXXOONNGBSBO-UHFFFAOYSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.15
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of sulfane;toluene;dihydrochloride?
The IUPAC name of sulfane;toluene;dihydrochloride (CID 173359936) is sulfane;toluene;dihydrochloride.
What is the SMILES notation for sulfane;toluene;dihydrochloride?
The canonical SMILES for sulfane;toluene;dihydrochloride is Cc1ccccc1.Cl.Cl.S.
What is the InChIKey of sulfane;toluene;dihydrochloride?
The InChIKey is XBIXXOONNGBSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.2ClH.H2S/c1-7-5-3-2-4-6-7;;;/h2-6H,1H3;2*1H;1H2.
What are the key properties of sulfane;toluene;dihydrochloride?
sulfane;toluene;dihydrochloride has a molecular weight of 199.15 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sulfane;toluene;dihydrochloride is sourced from PubChem (CID 173359936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).