1-(1-methylsulfanylethyl)-4-propan-2-ylbenzene

C12H18S — CID 154539866

IUPAC1-(1-methylsulfanylethyl)-4-propan-2-ylbenzene
SMILESCSC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C12H18S/c1-9(2)11-5-7-12(8-6-11)10(3)13-4/h5-10H,1-4H3
InChIKeyGASHLDYZGMUTHK-UHFFFAOYSA-N
MW194.34 g/mol
LogP4.23
Rot. Bonds3

About 1-(1-methylsulfanylethyl)-4-propan-2-ylbenzene

1-(1-methylsulfanylethyl)-4-propan-2-ylbenzene (PubChem CID 154539866) has the molecular formula C12H18S and a molecular weight of 194.34 g/mol. Its IUPAC name is 1-(1-methylsulfanylethyl)-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(1-methylsulfanylethyl)-4-propan-2-ylbenzene
PubChem CID154539866
Molecular FormulaC12H18S
Molecular Weight194.34 g/mol
Exact Mass194.11
IUPAC Name1-(1-methylsulfanylethyl)-4-propan-2-ylbenzene
SMILESCSC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C12H18S/c1-9(2)11-5-7-12(8-6-11)10(3)13-4/h5-10H,1-4H3
InChIKeyGASHLDYZGMUTHK-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.34
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1S)-1-bromoethyl]-4-propan-2-ylbenzene
CID 94675608
N,N-dimethyl-4-propan-2-ylaniline;methane
CID 161012849
propan-2-ylbenzene;tungsten
CID 58901967
CID 145383869
CID 145383869
(4-propan-2-ylphenyl)phosphane
CID 59263013
azane;cumene;hydrochloride
CID 175202155
tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
2,3-dimethylbutane;ethane;1-propan-2-yl-4-prop-1-ynylbenzene
CID 144704481
bis(4-propan-2-ylphenyl)-[4-(4-propan-2-ylphenyl)sulfanylphenyl]sulfanium
CID 88530520
trimethyl-[2-(4-propan-2-ylphenyl)ethynyl]silane
CID 23390603
benzene;cumene
CID 157215889
propan-2-ylcyclodecapentaene
CID 123508933

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfanylethyl)-4-propan-2-ylbenzene?
The IUPAC name of 1-(1-methylsulfanylethyl)-4-propan-2-ylbenzene (CID 154539866) is 1-(1-methylsulfanylethyl)-4-propan-2-ylbenzene.
What is the SMILES notation for 1-(1-methylsulfanylethyl)-4-propan-2-ylbenzene?
The canonical SMILES for 1-(1-methylsulfanylethyl)-4-propan-2-ylbenzene is CSC(C)c1ccc(C(C)C)cc1.
What is the InChIKey of 1-(1-methylsulfanylethyl)-4-propan-2-ylbenzene?
The InChIKey is GASHLDYZGMUTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18S/c1-9(2)11-5-7-12(8-6-11)10(3)13-4/h5-10H,1-4H3.
What are the key properties of 1-(1-methylsulfanylethyl)-4-propan-2-ylbenzene?
1-(1-methylsulfanylethyl)-4-propan-2-ylbenzene has a molecular weight of 194.34 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfanylethyl)-4-propan-2-ylbenzene is sourced from PubChem (CID 154539866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).