2,4-dimethyl-3-methylsulfanylpenta-1,3-diene

C8H14S — CID 134975252

IUPAC2,4-dimethyl-3-methylsulfanylpenta-1,3-diene
SMILESC=C(C)C(SC)=C(C)C
InChIInChI=1S/C8H14S/c1-6(2)8(9-5)7(3)4/h1H2,2-5H3
InChIKeyIUAJBMHZDJNPHX-UHFFFAOYSA-N
MW142.27 g/mol
LogP3.22
Rot. Bonds2

About 2,4-dimethyl-3-methylsulfanylpenta-1,3-diene

2,4-dimethyl-3-methylsulfanylpenta-1,3-diene (PubChem CID 134975252) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 2,4-dimethyl-3-methylsulfanylpenta-1,3-diene.

Molecular Properties

Compound Name2,4-dimethyl-3-methylsulfanylpenta-1,3-diene
PubChem CID134975252
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name2,4-dimethyl-3-methylsulfanylpenta-1,3-diene
SMILESC=C(C)C(SC)=C(C)C
InChIInChI=1S/C8H14S/c1-6(2)8(9-5)7(3)4/h1H2,2-5H3
InChIKeyIUAJBMHZDJNPHX-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-2H-thiopyran
CID 129890696
(3Z)-2-(fluoromethylsulfanyl)-5-methylhexa-1,3,5-triene
CID 145628249
Lithium methylsulfanylmethylbenzene
CID 138967611
(3E,5E)-5-fluoro-2-methyl-4-methylsulfanylhepta-1,3,5-triene
CID 144789975
3,5-Dimethyl-1-methylsulfanylcyclopenta-1,3-diene
CID 20669974
1,2-Dimethyl-3-methylsulfanylcyclohexa-1,3-diene
CID 21519559
1-Methyl-3-methylsulfanylcyclohexa-1,3-diene
CID 22002160
2-(Ethylsulfanylmethyl)cyclopenta-1,3-diene
CID 22555515
2,4,6-trimethyl-2H-thiopyran
CID 22942810
1-Methyl-4-methylsulfanylcyclohexa-1,3-diene
CID 23514826
(5Z)-3-ethenyl-5-ethylidene-2H-thiopyran
CID 23558491
3-methyl-5-methylidene-2H-thiopyran
CID 23558493

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-methylsulfanylpenta-1,3-diene?
The IUPAC name of 2,4-dimethyl-3-methylsulfanylpenta-1,3-diene (CID 134975252) is 2,4-dimethyl-3-methylsulfanylpenta-1,3-diene.
What is the SMILES notation for 2,4-dimethyl-3-methylsulfanylpenta-1,3-diene?
The canonical SMILES for 2,4-dimethyl-3-methylsulfanylpenta-1,3-diene is C=C(C)C(SC)=C(C)C.
What is the InChIKey of 2,4-dimethyl-3-methylsulfanylpenta-1,3-diene?
The InChIKey is IUAJBMHZDJNPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-6(2)8(9-5)7(3)4/h1H2,2-5H3.
What are the key properties of 2,4-dimethyl-3-methylsulfanylpenta-1,3-diene?
2,4-dimethyl-3-methylsulfanylpenta-1,3-diene has a molecular weight of 142.27 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-methylsulfanylpenta-1,3-diene is sourced from PubChem (CID 134975252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).