ethane;1-ethylsulfanyl-4-methylbenzene

C11H18S — CID 142940651

IUPACethane;1-ethylsulfanyl-4-methylbenzene
SMILESCC.CCSc1ccc(C)cc1
InChIInChI=1S/C9H12S.C2H6/c1-3-10-9-6-4-8(2)5-7-9;1-2/h4-7H,3H2,1-2H3;1-2H3
InChIKeyPXNNUZGCFRGVDM-UHFFFAOYSA-N
MW182.33 g/mol
LogP4.13
Rot. Bonds2

About ethane;1-ethylsulfanyl-4-methylbenzene

ethane;1-ethylsulfanyl-4-methylbenzene (PubChem CID 142940651) has the molecular formula C11H18S and a molecular weight of 182.33 g/mol. Its IUPAC name is ethane;1-ethylsulfanyl-4-methylbenzene.

Molecular Properties

Compound Nameethane;1-ethylsulfanyl-4-methylbenzene
PubChem CID142940651
Molecular FormulaC11H18S
Molecular Weight182.33 g/mol
Exact Mass182.11
IUPAC Nameethane;1-ethylsulfanyl-4-methylbenzene
SMILESCC.CCSc1ccc(C)cc1
InChIInChI=1S/C9H12S.C2H6/c1-3-10-9-6-4-8(2)5-7-9;1-2/h4-7H,3H2,1-2H3;1-2H3
InChIKeyPXNNUZGCFRGVDM-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butylsulfanyl-4-methylbenzene;ethane
CID 145281456
1-chloro-4-ethylsulfanylbenzene
CID 5324154
1-methyl-4-[(4-methylphenyl)sulfanylmethylsulfanylmethylsulfanyl]benzene
CID 71336749
1-(2-ethylsulfanylpropylsulfanyl)-4-methylbenzene
CID 146406080
ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 123790982
ethylsulfanylbenzene;dihydrochloride
CID 18353835
methane;1-methyl-4-methylsulfanylbenzene;methylsulfanylethane
CID 160555586
(4-ethylsulfanylphenyl)methanediamine
CID 116939199
1-ethylsulfanyl-4-fluorobenzene;methanol
CID 178124027
(4-ethylsulfanylphenyl)methanamine
CID 12842467
4-(4-ethylsulfanylphenyl)benzaldehyde
CID 1392870
1-methyl-4-prop-2-ynylsulfanylbenzene
CID 11030151

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethylsulfanyl-4-methylbenzene?
The IUPAC name of ethane;1-ethylsulfanyl-4-methylbenzene (CID 142940651) is ethane;1-ethylsulfanyl-4-methylbenzene.
What is the SMILES notation for ethane;1-ethylsulfanyl-4-methylbenzene?
The canonical SMILES for ethane;1-ethylsulfanyl-4-methylbenzene is CC.CCSc1ccc(C)cc1.
What is the InChIKey of ethane;1-ethylsulfanyl-4-methylbenzene?
The InChIKey is PXNNUZGCFRGVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12S.C2H6/c1-3-10-9-6-4-8(2)5-7-9;1-2/h4-7H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethylsulfanyl-4-methylbenzene?
ethane;1-ethylsulfanyl-4-methylbenzene has a molecular weight of 182.33 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethylsulfanyl-4-methylbenzene is sourced from PubChem (CID 142940651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).