3,5-dimethyl-1-methylsulfanylcyclopenta-1,3-diene

C8H12S — CID 20669974

IUPAC3,5-dimethyl-1-methylsulfanylcyclopenta-1,3-diene
SMILESCSC1=CC(C)=CC1C
InChIInChI=1S/C8H12S/c1-6-4-7(2)8(5-6)9-3/h4-5,7H,1-3H3
InChIKeyKJQFOTAGLMHPQU-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.83
Rot. Bonds1

About 3,5-dimethyl-1-methylsulfanylcyclopenta-1,3-diene

3,5-dimethyl-1-methylsulfanylcyclopenta-1,3-diene (PubChem CID 20669974) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is 3,5-dimethyl-1-methylsulfanylcyclopenta-1,3-diene.

Molecular Properties

Compound Name3,5-dimethyl-1-methylsulfanylcyclopenta-1,3-diene
PubChem CID20669974
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name3,5-dimethyl-1-methylsulfanylcyclopenta-1,3-diene
SMILESCSC1=CC(C)=CC1C
InChIInChI=1S/C8H12S/c1-6-4-7(2)8(5-6)9-3/h4-5,7H,1-3H3
InChIKeyKJQFOTAGLMHPQU-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

dimethyl-2H-thiopyran
CID 129890696
Ethylfurfuryl sulfide
CID 528326
2,4-Dimethyl-3-methylsulfanylpenta-1,3-diene
CID 134975252
(3E,5E)-5-fluoro-2-methyl-4-methylsulfanylhepta-1,3,5-triene
CID 144789975
Furfuryl 2-methyl-2-propenyl sulfide
CID 528327
Furfuryl propyl sulfide
CID 528330
1-Methylsulfanylcyclopenta-1,3-diene
CID 12068373
5-methyl-5H-cyclopenta[b]thiophene
CID 12137887
1-Tert-butylsulfanylcyclopenta-1,3-diene
CID 15361967
1-(2-Methylpropylsulfanyl)cyclopenta-1,3-diene
CID 15388331
Lithium 5-methyl-2,3a-dihydrocyclopenta[b]thiophen-2-ide
CID 17855602
5-methyl-3aH-cyclopenta[b]thiophene
CID 17855603

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-methylsulfanylcyclopenta-1,3-diene?
The IUPAC name of 3,5-dimethyl-1-methylsulfanylcyclopenta-1,3-diene (CID 20669974) is 3,5-dimethyl-1-methylsulfanylcyclopenta-1,3-diene.
What is the SMILES notation for 3,5-dimethyl-1-methylsulfanylcyclopenta-1,3-diene?
The canonical SMILES for 3,5-dimethyl-1-methylsulfanylcyclopenta-1,3-diene is CSC1=CC(C)=CC1C.
What is the InChIKey of 3,5-dimethyl-1-methylsulfanylcyclopenta-1,3-diene?
The InChIKey is KJQFOTAGLMHPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S/c1-6-4-7(2)8(5-6)9-3/h4-5,7H,1-3H3.
What are the key properties of 3,5-dimethyl-1-methylsulfanylcyclopenta-1,3-diene?
3,5-dimethyl-1-methylsulfanylcyclopenta-1,3-diene has a molecular weight of 140.25 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-methylsulfanylcyclopenta-1,3-diene is sourced from PubChem (CID 20669974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).