ethane;1-ethylsulfanylethylbenzene

C12H20S — CID 91185856

IUPACethane;1-ethylsulfanylethylbenzene
SMILESCC.CCSC(C)c1ccccc1
InChIInChI=1S/C10H14S.C2H6/c1-3-11-9(2)10-7-5-4-6-8-10;1-2/h4-9H,3H2,1-2H3;1-2H3
InChIKeyIBBABACYOOTEAD-UHFFFAOYSA-N
MW196.36 g/mol
LogP4.53
Rot. Bonds3

About ethane;1-ethylsulfanylethylbenzene

ethane;1-ethylsulfanylethylbenzene (PubChem CID 91185856) has the molecular formula C12H20S and a molecular weight of 196.36 g/mol. Its IUPAC name is ethane;1-ethylsulfanylethylbenzene.

Molecular Properties

Compound Nameethane;1-ethylsulfanylethylbenzene
PubChem CID91185856
Molecular FormulaC12H20S
Molecular Weight196.36 g/mol
Exact Mass196.13
IUPAC Nameethane;1-ethylsulfanylethylbenzene
SMILESCC.CCSC(C)c1ccccc1
InChIInChI=1S/C10H14S.C2H6/c1-3-11-9(2)10-7-5-4-6-8-10;1-2/h4-9H,3H2,1-2H3;1-2H3
InChIKeyIBBABACYOOTEAD-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylpropylsulfanyl)ethylbenzene
CID 126656932
1-(1-phenylethylsulfanyl)propan-2-amine
CID 66219944
[(1R)-1-[[(1R)-1-phenylethyl]disulfanyl]ethyl]benzene
CID 12525253
N-ethyl-2-ethylsulfanyl-1-phenylpropan-1-amine
CID 64612976
2-[ethylsulfanyl(phenyl)methyl]propanedinitrile
CID 12663218
3-(1-phenylethylsulfanyl)propane-1,2-diol
CID 79682648
1-(1-phenylethyltetrasulfanyl)ethylbenzene
CID 71330817
2-ethylsulfanyl-N-methyl-2-phenylethanamine
CID 62577533
2-ethylsulfanyl-1,2-diphenylethanol
CID 11242365
1-bromododecane;cumene
CID 174305646
ethane;methane;2-methylpropane;pentane;1,3,5-tris(1-phenylethyl)benzene
CID 145108113
diethoxy-(1-phenylethylsulfanylmethylsulfanyl)-sulfanylidene-λ5-phosphane
CID 21489055

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethylsulfanylethylbenzene?
The IUPAC name of ethane;1-ethylsulfanylethylbenzene (CID 91185856) is ethane;1-ethylsulfanylethylbenzene.
What is the SMILES notation for ethane;1-ethylsulfanylethylbenzene?
The canonical SMILES for ethane;1-ethylsulfanylethylbenzene is CC.CCSC(C)c1ccccc1.
What is the InChIKey of ethane;1-ethylsulfanylethylbenzene?
The InChIKey is IBBABACYOOTEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S.C2H6/c1-3-11-9(2)10-7-5-4-6-8-10;1-2/h4-9H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethylsulfanylethylbenzene?
ethane;1-ethylsulfanylethylbenzene has a molecular weight of 196.36 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethylsulfanylethylbenzene is sourced from PubChem (CID 91185856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).