ethene;1-methyl-5-methylsulfanylnaphthalene;propane

C17H24S — CID 165122097

IUPACethene;1-methyl-5-methylsulfanylnaphthalene;propane
SMILESC=C.CCC.CSc1cccc2c(C)cccc12
InChIInChI=1S/C12H12S.C3H8.C2H4/c1-9-5-3-7-11-10(9)6-4-8-12(11)13-2;1-3-2;1-2/h3-8H,1-2H3;3H2,1-2H3;1-2H2
InChIKeyIMDZHHSAKRMKSO-UHFFFAOYSA-N
MW260.45 g/mol
LogP6.09
Rot. Bonds1

About ethene;1-methyl-5-methylsulfanylnaphthalene;propane

ethene;1-methyl-5-methylsulfanylnaphthalene;propane (PubChem CID 165122097) has the molecular formula C17H24S and a molecular weight of 260.45 g/mol. Its IUPAC name is ethene;1-methyl-5-methylsulfanylnaphthalene;propane.

Molecular Properties

Compound Nameethene;1-methyl-5-methylsulfanylnaphthalene;propane
PubChem CID165122097
Molecular FormulaC17H24S
Molecular Weight260.45 g/mol
Exact Mass260.16
IUPAC Nameethene;1-methyl-5-methylsulfanylnaphthalene;propane
SMILESC=C.CCC.CSc1cccc2c(C)cccc12
InChIInChI=1S/C12H12S.C3H8.C2H4/c1-9-5-3-7-11-10(9)6-4-8-12(11)13-2;1-3-2;1-2/h3-8H,1-2H3;3H2,1-2H3;1-2H2
InChIKeyIMDZHHSAKRMKSO-UHFFFAOYSA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.45
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,5-dimethylnaphthalene
CID 162159355
5-methylsulfanylnaphthalen-1-ol
CID 130033866
1-methyl-7-octoxychrysene;(7-methylsulfanylchrysen-1-yl)methanethiol
CID 123206772
2-iodo-1-methyl-3-methylsulfanylbenzene
CID 91881115
N-(2-methyl-6-methylsulfanylphenyl)hydroxylamine
CID 134481194
4-methylsulfanylbenzo[a]anthracene
CID 134198751
2-ethenyl-1,3-bis(methylsulfanyl)benzene
CID 54025667
(2-ethoxy-3-methylsulfanylphenyl)methanol
CID 118269349
2-methyl-1-(5-methylnaphthalen-1-yl)butan-1-amine
CID 139609928
azane;2-methyl-1,3-bis(methylsulfanyl)benzene
CID 18755719
1-ethylsulfanyl-2-fluoro-3-methylbenzene
CID 91876383
1-[chloro-(2-methylsulfanylphenyl)methyl]-4-methylnaphthalene
CID 79212013

Frequently Asked Questions

What is the IUPAC name of ethene;1-methyl-5-methylsulfanylnaphthalene;propane?
The IUPAC name of ethene;1-methyl-5-methylsulfanylnaphthalene;propane (CID 165122097) is ethene;1-methyl-5-methylsulfanylnaphthalene;propane.
What is the SMILES notation for ethene;1-methyl-5-methylsulfanylnaphthalene;propane?
The canonical SMILES for ethene;1-methyl-5-methylsulfanylnaphthalene;propane is C=C.CCC.CSc1cccc2c(C)cccc12.
What is the InChIKey of ethene;1-methyl-5-methylsulfanylnaphthalene;propane?
The InChIKey is IMDZHHSAKRMKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12S.C3H8.C2H4/c1-9-5-3-7-11-10(9)6-4-8-12(11)13-2;1-3-2;1-2/h3-8H,1-2H3;3H2,1-2H3;1-2H2.
What are the key properties of ethene;1-methyl-5-methylsulfanylnaphthalene;propane?
ethene;1-methyl-5-methylsulfanylnaphthalene;propane has a molecular weight of 260.45 g/mol, XLogP of 6.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-methyl-5-methylsulfanylnaphthalene;propane is sourced from PubChem (CID 165122097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).