1-ethyl-2-ethylsulfanyl-4-propan-2-ylbenzene

C13H20S — CID 166781432

IUPAC1-ethyl-2-ethylsulfanyl-4-propan-2-ylbenzene
SMILESCCSc1cc(C(C)C)ccc1CC
InChIInChI=1S/C13H20S/c1-5-11-7-8-12(10(3)4)9-13(11)14-6-2/h7-10H,5-6H2,1-4H3
InChIKeyVHXQMUUHBJPQRF-UHFFFAOYSA-N
MW208.37 g/mol
LogP4.48
Rot. Bonds4

About 1-ethyl-2-ethylsulfanyl-4-propan-2-ylbenzene

1-ethyl-2-ethylsulfanyl-4-propan-2-ylbenzene (PubChem CID 166781432) has the molecular formula C13H20S and a molecular weight of 208.37 g/mol. Its IUPAC name is 1-ethyl-2-ethylsulfanyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-ethyl-2-ethylsulfanyl-4-propan-2-ylbenzene
PubChem CID166781432
Molecular FormulaC13H20S
Molecular Weight208.37 g/mol
Exact Mass208.13
IUPAC Name1-ethyl-2-ethylsulfanyl-4-propan-2-ylbenzene
SMILESCCSc1cc(C(C)C)ccc1CC
InChIInChI=1S/C13H20S/c1-5-11-7-8-12(10(3)4)9-13(11)14-6-2/h7-10H,5-6H2,1-4H3
InChIKeyVHXQMUUHBJPQRF-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.37
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-5-propan-2-ylphenol
CID 45096246
2-ethyl-5-propan-2-ylbenzaldehyde
CID 105436611
ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene
CID 166091157
2-(2-ethyl-5-propan-2-ylphenyl)propanoic acid
CID 117314723
4-propan-2-yl-1,2-dipropylbenzene
CID 123478662
2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene
CID 156849362
ethane;2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene
CID 177155724
4-[1-[4-amino-3,5-bis(ethylsulfanyl)phenyl]ethyl]-2,6-bis(ethylsulfanyl)aniline
CID 19754969
3-[(2-ethyl-5-propan-2-ylphenyl)methyl]azetidine
CID 178127637
ethane;3-[(2-ethyl-5-propan-2-ylphenyl)methyl]azetidine
CID 178127636
1-ethylsulfanyl-3,5-di(propan-2-yl)benzene
CID 162469287
1,3-diethyl-2-methyl-5-propan-2-ylbenzene
CID 153439448

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-ethylsulfanyl-4-propan-2-ylbenzene?
The IUPAC name of 1-ethyl-2-ethylsulfanyl-4-propan-2-ylbenzene (CID 166781432) is 1-ethyl-2-ethylsulfanyl-4-propan-2-ylbenzene.
What is the SMILES notation for 1-ethyl-2-ethylsulfanyl-4-propan-2-ylbenzene?
The canonical SMILES for 1-ethyl-2-ethylsulfanyl-4-propan-2-ylbenzene is CCSc1cc(C(C)C)ccc1CC.
What is the InChIKey of 1-ethyl-2-ethylsulfanyl-4-propan-2-ylbenzene?
The InChIKey is VHXQMUUHBJPQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20S/c1-5-11-7-8-12(10(3)4)9-13(11)14-6-2/h7-10H,5-6H2,1-4H3.
What are the key properties of 1-ethyl-2-ethylsulfanyl-4-propan-2-ylbenzene?
1-ethyl-2-ethylsulfanyl-4-propan-2-ylbenzene has a molecular weight of 208.37 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-ethylsulfanyl-4-propan-2-ylbenzene is sourced from PubChem (CID 166781432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).