ethane;2-ethyl-4-methyl-1-methylsulfanylbenzene

C12H20S — CID 145419397

IUPACethane;2-ethyl-4-methyl-1-methylsulfanylbenzene
SMILESCC.CCc1cc(C)ccc1SC
InChIInChI=1S/C10H14S.C2H6/c1-4-9-7-8(2)5-6-10(9)11-3;1-2/h5-7H,4H2,1-3H3;1-2H3
InChIKeyFEUIPBVCFJPHHC-UHFFFAOYSA-N
MW196.36 g/mol
LogP4.31
Rot. Bonds2

About ethane;2-ethyl-4-methyl-1-methylsulfanylbenzene

ethane;2-ethyl-4-methyl-1-methylsulfanylbenzene (PubChem CID 145419397) has the molecular formula C12H20S and a molecular weight of 196.36 g/mol. Its IUPAC name is ethane;2-ethyl-4-methyl-1-methylsulfanylbenzene.

Molecular Properties

Compound Nameethane;2-ethyl-4-methyl-1-methylsulfanylbenzene
PubChem CID145419397
Molecular FormulaC12H20S
Molecular Weight196.36 g/mol
Exact Mass196.13
IUPAC Nameethane;2-ethyl-4-methyl-1-methylsulfanylbenzene
SMILESCC.CCc1cc(C)ccc1SC
InChIInChI=1S/C10H14S.C2H6/c1-4-9-7-8(2)5-6-10(9)11-3;1-2/h5-7H,4H2,1-3H3;1-2H3
InChIKeyFEUIPBVCFJPHHC-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5-methyl-2-methylsulfanylphenyl)methanamine;hydrochloride
CID 66876860
1,2-diethyl-4-methylbenzene;methane
CID 174446118
ethane;2-ethyl-5-methylphenol
CID 142001660
1-bromo-2-ethyl-4-methylbenzene;ethane
CID 153401137
lithium 2-ethyl-4-methyl-6-methylsulfanylphenolate
CID 23597029
1-(2-ethyl-5-methylphenyl)propan-2-ol
CID 117277868
2-ethyl-1-(iodomethyl)-4-methylbenzene
CID 91883824
1,2-diethyl-4-methylbenzene;N-methylethanamine
CID 164855873
2-ethyl-1-(2-ethyl-4-methylphenoxy)-4-methylbenzene
CID 57313101
2-chloro-1-ethyl-4-methylbenzene;ethane
CID 143541856
1-ethyl-2,4-dimethylbenzene;propane
CID 143347602
2-ethyl-4-methylbenzaldehyde
CID 58929233

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-4-methyl-1-methylsulfanylbenzene?
The IUPAC name of ethane;2-ethyl-4-methyl-1-methylsulfanylbenzene (CID 145419397) is ethane;2-ethyl-4-methyl-1-methylsulfanylbenzene.
What is the SMILES notation for ethane;2-ethyl-4-methyl-1-methylsulfanylbenzene?
The canonical SMILES for ethane;2-ethyl-4-methyl-1-methylsulfanylbenzene is CC.CCc1cc(C)ccc1SC.
What is the InChIKey of ethane;2-ethyl-4-methyl-1-methylsulfanylbenzene?
The InChIKey is FEUIPBVCFJPHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S.C2H6/c1-4-9-7-8(2)5-6-10(9)11-3;1-2/h5-7H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;2-ethyl-4-methyl-1-methylsulfanylbenzene?
ethane;2-ethyl-4-methyl-1-methylsulfanylbenzene has a molecular weight of 196.36 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-4-methyl-1-methylsulfanylbenzene is sourced from PubChem (CID 145419397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).