(4-methyl-2-methylsulfanylheptyl)benzene

C15H24S — CID 70206461

IUPAC(4-methyl-2-methylsulfanylheptyl)benzene
SMILESCCCC(C)CC(Cc1ccccc1)SC
InChIInChI=1S/C15H24S/c1-4-8-13(2)11-15(16-3)12-14-9-6-5-7-10-14/h5-7,9-10,13,15H,4,8,11-12H2,1-3H3
InChIKeyLDCIXRQPSACMPW-UHFFFAOYSA-N
MW236.42 g/mol
LogP4.79
Rot. Bonds7

About (4-methyl-2-methylsulfanylheptyl)benzene

(4-methyl-2-methylsulfanylheptyl)benzene (PubChem CID 70206461) has the molecular formula C15H24S and a molecular weight of 236.42 g/mol. Its IUPAC name is (4-methyl-2-methylsulfanylheptyl)benzene.

Molecular Properties

Compound Name(4-methyl-2-methylsulfanylheptyl)benzene
PubChem CID70206461
Molecular FormulaC15H24S
Molecular Weight236.42 g/mol
Exact Mass236.16
IUPAC Name(4-methyl-2-methylsulfanylheptyl)benzene
SMILESCCCC(C)CC(Cc1ccccc1)SC
InChIInChI=1S/C15H24S/c1-4-8-13(2)11-15(16-3)12-14-9-6-5-7-10-14/h5-7,9-10,13,15H,4,8,11-12H2,1-3H3
InChIKeyLDCIXRQPSACMPW-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.42
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-4-methylheptanoic acid
CID 62266775
2-benzyl-4-methyl-N-(2-methylpropyl)heptan-1-amine
CID 63496731
4-methylheptan-2-ylbenzene
CID 21055597
N-(2-benzyl-4-methylheptyl)cyclopropanamine
CID 55196781
[(2R,5R)-5-ethyl-2-methyloctyl]benzene
CID 3085733
5-methylsulfanyl-1-phenyldodecan-2-ol
CID 54417613
(3-bromo-2-methylhexyl)benzene
CID 83051885
3-methyl-1-phenylhexan-2-ol
CID 63018482
ethane;2-methylheptylbenzene
CID 142204161
2-methylheptylbenzene;2-methyloctylbenzene
CID 174049605
2-(benzylamino)-4-methylheptan-1-ol
CID 166670635
2-(2-methylpentylamino)-3-phenylpropan-1-ol
CID 63260515

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-methylsulfanylheptyl)benzene?
The IUPAC name of (4-methyl-2-methylsulfanylheptyl)benzene (CID 70206461) is (4-methyl-2-methylsulfanylheptyl)benzene.
What is the SMILES notation for (4-methyl-2-methylsulfanylheptyl)benzene?
The canonical SMILES for (4-methyl-2-methylsulfanylheptyl)benzene is CCCC(C)CC(Cc1ccccc1)SC.
What is the InChIKey of (4-methyl-2-methylsulfanylheptyl)benzene?
The InChIKey is LDCIXRQPSACMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24S/c1-4-8-13(2)11-15(16-3)12-14-9-6-5-7-10-14/h5-7,9-10,13,15H,4,8,11-12H2,1-3H3.
What are the key properties of (4-methyl-2-methylsulfanylheptyl)benzene?
(4-methyl-2-methylsulfanylheptyl)benzene has a molecular weight of 236.42 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-methylsulfanylheptyl)benzene is sourced from PubChem (CID 70206461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).