ethylsulfanylbenzene;dihydrochloride

C8H12Cl2S — CID 18353835

IUPACethylsulfanylbenzene;dihydrochloride
SMILESCCSc1ccccc1.Cl.Cl
InChIInChI=1S/C8H10S.2ClH/c1-2-9-8-6-4-3-5-7-8;;/h3-7H,2H2,1H3;2*1H
InChIKeyVXMDFAZMIYCKKH-UHFFFAOYSA-N
MW211.16 g/mol
LogP3.64
Rot. Bonds2

About ethylsulfanylbenzene;dihydrochloride

ethylsulfanylbenzene;dihydrochloride (PubChem CID 18353835) has the molecular formula C8H12Cl2S and a molecular weight of 211.16 g/mol. Its IUPAC name is ethylsulfanylbenzene;dihydrochloride.

Molecular Properties

Compound Nameethylsulfanylbenzene;dihydrochloride
PubChem CID18353835
Molecular FormulaC8H12Cl2S
Molecular Weight211.16 g/mol
Exact Mass210.00
IUPAC Nameethylsulfanylbenzene;dihydrochloride
SMILESCCSc1ccccc1.Cl.Cl
InChIInChI=1S/C8H10S.2ClH/c1-2-9-8-6-4-3-5-7-8;;/h3-7H,2H2,1H3;2*1H
InChIKeyVXMDFAZMIYCKKH-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.16
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethylsulfanylbenzene;dihydrochloride?
The IUPAC name of ethylsulfanylbenzene;dihydrochloride (CID 18353835) is ethylsulfanylbenzene;dihydrochloride.
What is the SMILES notation for ethylsulfanylbenzene;dihydrochloride?
The canonical SMILES for ethylsulfanylbenzene;dihydrochloride is CCSc1ccccc1.Cl.Cl.
What is the InChIKey of ethylsulfanylbenzene;dihydrochloride?
The InChIKey is VXMDFAZMIYCKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10S.2ClH/c1-2-9-8-6-4-3-5-7-8;;/h3-7H,2H2,1H3;2*1H.
What are the key properties of ethylsulfanylbenzene;dihydrochloride?
ethylsulfanylbenzene;dihydrochloride has a molecular weight of 211.16 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfanylbenzene;dihydrochloride is sourced from PubChem (CID 18353835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).