1-(2-methylprop-2-enylsulfanylmethyl)cyclopenta-1,3-diene

C10H14S — CID 528327

IUPAC1-(2-methylprop-2-enylsulfanylmethyl)cyclopenta-1,3-diene
SMILESC=C(C)CSCC1=CC=CC1
InChIInChI=1S/C10H14S/c1-9(2)7-11-8-10-5-3-4-6-10/h3-5H,1,6-8H2,2H3
InChIKeyWPTWMMCUSDCDCL-UHFFFAOYSA-N
MW166.29 g/mol
LogP3.18
Rot. Bonds4

About 1-(2-methylprop-2-enylsulfanylmethyl)cyclopenta-1,3-diene

1-(2-methylprop-2-enylsulfanylmethyl)cyclopenta-1,3-diene (PubChem CID 528327) has the molecular formula C10H14S and a molecular weight of 166.29 g/mol. Its IUPAC name is 1-(2-methylprop-2-enylsulfanylmethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-(2-methylprop-2-enylsulfanylmethyl)cyclopenta-1,3-diene
PubChem CID528327
Molecular FormulaC10H14S
Molecular Weight166.29 g/mol
Exact Mass166.08
IUPAC Name1-(2-methylprop-2-enylsulfanylmethyl)cyclopenta-1,3-diene
SMILESC=C(C)CSCC1=CC=CC1
InChIInChI=1S/C10H14S/c1-9(2)7-11-8-10-5-3-4-6-10/h3-5H,1,6-8H2,2H3
InChIKeyWPTWMMCUSDCDCL-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 53.18
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

2-Ethyl-5-methyl-2,5-dihydrothiophene
CID 12204283
4-(Cyclopenta-2,4-dien-1-ylidene)thiane
CID 12926918
7-Tetrahydrobenzo[b]thiophene
CID 18315883
Methylcyclopenta[b]thiophene
CID 21095561
Indeno[1,2-b]thiophene
CID 21503772
7,7a-Dihydrobenzothiophen
CID 21584106
Thiaazulene
CID 22111386
4-Ethylthiocyclopentadiene
CID 68403138
Benzocycloheptathiophene
CID 87987742
Indenobenzothiophene
CID 88085883
Dihydro 6h cyclopenta[b]thiophen
CID 89374432
Cyclohepta[c]thiophene
CID 129673588

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enylsulfanylmethyl)cyclopenta-1,3-diene?
The IUPAC name of 1-(2-methylprop-2-enylsulfanylmethyl)cyclopenta-1,3-diene (CID 528327) is 1-(2-methylprop-2-enylsulfanylmethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1-(2-methylprop-2-enylsulfanylmethyl)cyclopenta-1,3-diene?
The canonical SMILES for 1-(2-methylprop-2-enylsulfanylmethyl)cyclopenta-1,3-diene is C=C(C)CSCC1=CC=CC1.
What is the InChIKey of 1-(2-methylprop-2-enylsulfanylmethyl)cyclopenta-1,3-diene?
The InChIKey is WPTWMMCUSDCDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S/c1-9(2)7-11-8-10-5-3-4-6-10/h3-5H,1,6-8H2,2H3.
What are the key properties of 1-(2-methylprop-2-enylsulfanylmethyl)cyclopenta-1,3-diene?
1-(2-methylprop-2-enylsulfanylmethyl)cyclopenta-1,3-diene has a molecular weight of 166.29 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enylsulfanylmethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 528327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).