methane;1-methyl-4-methylsulfanylbenzene;methylsulfanylethane

C13H26S2 — CID 160555586

IUPACmethane;1-methyl-4-methylsulfanylbenzene;methylsulfanylethane
SMILESC.C.CCSC.CSc1ccc(C)cc1
InChIInChI=1S/C8H10S.C3H8S.2CH4/c1-7-3-5-8(9-2)6-4-7;1-3-4-2;;/h3-6H,1-2H3;3H2,1-2H3;2*1H4
InChIKeyQYQHGXGZPUVWJE-UHFFFAOYSA-N
MW246.48 g/mol
LogP5.36
Rot. Bonds2

About methane;1-methyl-4-methylsulfanylbenzene;methylsulfanylethane

methane;1-methyl-4-methylsulfanylbenzene;methylsulfanylethane (PubChem CID 160555586) has the molecular formula C13H26S2 and a molecular weight of 246.48 g/mol. Its IUPAC name is methane;1-methyl-4-methylsulfanylbenzene;methylsulfanylethane.

Molecular Properties

Compound Namemethane;1-methyl-4-methylsulfanylbenzene;methylsulfanylethane
PubChem CID160555586
Molecular FormulaC13H26S2
Molecular Weight246.48 g/mol
Exact Mass246.15
IUPAC Namemethane;1-methyl-4-methylsulfanylbenzene;methylsulfanylethane
SMILESC.C.CCSC.CSc1ccc(C)cc1
InChIInChI=1S/C8H10S.C3H8S.2CH4/c1-7-3-5-8(9-2)6-4-7;1-3-4-2;;/h3-6H,1-2H3;3H2,1-2H3;2*1H4
InChIKeyQYQHGXGZPUVWJE-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.48
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

potassium;azanide;1-methyl-4-methylsulfanylbenzene
CID 164525020
1-methyl-4-[4-(4-methylsulfanylphenyl)phenyl]benzene
CID 130214671
ethane;1-ethylsulfanyl-4-methylbenzene
CID 142940651
methane;propane;1,4-xylene
CID 160778309
methane;propane;1,4-xylene
CID 143560264
ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)benzene
CID 143577780
2-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazole
CID 116967862
1-ethyl-4-methylsulfanylbenzene
CID 142218139
1,4-bis(methylsulfanyl)benzene;methanol
CID 143321779
4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline;hydrochloride
CID 155819299
methane;pentakis(1,4-xylene)
CID 160760083
1-methyl-4-methylsulfanylbenzene;methylsulfanylbenzene;2-methylsulfanylnaphthalene
CID 158033725

Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-4-methylsulfanylbenzene;methylsulfanylethane?
The IUPAC name of methane;1-methyl-4-methylsulfanylbenzene;methylsulfanylethane (CID 160555586) is methane;1-methyl-4-methylsulfanylbenzene;methylsulfanylethane.
What is the SMILES notation for methane;1-methyl-4-methylsulfanylbenzene;methylsulfanylethane?
The canonical SMILES for methane;1-methyl-4-methylsulfanylbenzene;methylsulfanylethane is C.C.CCSC.CSc1ccc(C)cc1.
What is the InChIKey of methane;1-methyl-4-methylsulfanylbenzene;methylsulfanylethane?
The InChIKey is QYQHGXGZPUVWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10S.C3H8S.2CH4/c1-7-3-5-8(9-2)6-4-7;1-3-4-2;;/h3-6H,1-2H3;3H2,1-2H3;2*1H4.
What are the key properties of methane;1-methyl-4-methylsulfanylbenzene;methylsulfanylethane?
methane;1-methyl-4-methylsulfanylbenzene;methylsulfanylethane has a molecular weight of 246.48 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-4-methylsulfanylbenzene;methylsulfanylethane is sourced from PubChem (CID 160555586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).