2-(methylsulfanylmethyl)-1,3-di(propan-2-yl)benzene

C14H22S — CID 71264347

IUPAC2-(methylsulfanylmethyl)-1,3-di(propan-2-yl)benzene
SMILESCSCc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C14H22S/c1-10(2)12-7-6-8-13(11(3)4)14(12)9-15-5/h6-8,10-11H,9H2,1-5H3
InChIKeyNYMJGVOUXLVBOW-UHFFFAOYSA-N
MW222.40 g/mol
LogP4.80
Rot. Bonds4

About 2-(methylsulfanylmethyl)-1,3-di(propan-2-yl)benzene

2-(methylsulfanylmethyl)-1,3-di(propan-2-yl)benzene (PubChem CID 71264347) has the molecular formula C14H22S and a molecular weight of 222.40 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)-1,3-di(propan-2-yl)benzene.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)-1,3-di(propan-2-yl)benzene
PubChem CID71264347
Molecular FormulaC14H22S
Molecular Weight222.40 g/mol
Exact Mass222.14
IUPAC Name2-(methylsulfanylmethyl)-1,3-di(propan-2-yl)benzene
SMILESCSCc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C14H22S/c1-10(2)12-7-6-8-13(11(3)4)14(12)9-15-5/h6-8,10-11H,9H2,1-5H3
InChIKeyNYMJGVOUXLVBOW-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-iodoethyl)-1,3-di(propan-2-yl)benzene
CID 155328338
4-[2,6-di(propan-2-yl)phenyl]butan-2-amine
CID 174789364
(3-propan-2-yl-2-propylphenyl) thiohypofluorite
CID 129070029
2-[2,6-di(propan-2-yl)phenyl]acetyl chloride
CID 19362782
1-(methylsulfanylmethyl)-3-propan-2-ylbenzene
CID 91388847
[2,6-di(propan-2-yl)phenyl]methoxymethanol
CID 143066004
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
1,3-bis[3,5-bis[2,6-di(propan-2-yl)phenyl]phenyl]-2-[(hydroxydisulfanyl)methyl]benzene
CID 177494145
CID 136741886
CID 136741886
tetrakis([2,6-di(propan-2-yl)phenyl]azanide);ytterbium
CID 5249219
1-methyl-2-pentyl-3-propan-2-ylbenzene
CID 173336481
2-(1-methylsulfanylethyl)-6-propan-2-ylphenol
CID 170547306

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)-1,3-di(propan-2-yl)benzene?
The IUPAC name of 2-(methylsulfanylmethyl)-1,3-di(propan-2-yl)benzene (CID 71264347) is 2-(methylsulfanylmethyl)-1,3-di(propan-2-yl)benzene.
What is the SMILES notation for 2-(methylsulfanylmethyl)-1,3-di(propan-2-yl)benzene?
The canonical SMILES for 2-(methylsulfanylmethyl)-1,3-di(propan-2-yl)benzene is CSCc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 2-(methylsulfanylmethyl)-1,3-di(propan-2-yl)benzene?
The InChIKey is NYMJGVOUXLVBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22S/c1-10(2)12-7-6-8-13(11(3)4)14(12)9-15-5/h6-8,10-11H,9H2,1-5H3.
What are the key properties of 2-(methylsulfanylmethyl)-1,3-di(propan-2-yl)benzene?
2-(methylsulfanylmethyl)-1,3-di(propan-2-yl)benzene has a molecular weight of 222.40 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)-1,3-di(propan-2-yl)benzene is sourced from PubChem (CID 71264347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).