1-methylsulfanylcyclopentene

C6H10S — CID 5325880

IUPAC1-methylsulfanylcyclopentene
SMILESCSC1=CCCC1
InChIInChI=1S/C6H10S/c1-7-6-4-2-3-5-6/h4H,2-3,5H2,1H3
InChIKeyRJOUDONZIAHWBI-UHFFFAOYSA-N
MW114.21 g/mol
LogP2.42
Rot. Bonds1

About 1-methylsulfanylcyclopentene

1-methylsulfanylcyclopentene (PubChem CID 5325880) has the molecular formula C6H10S and a molecular weight of 114.21 g/mol. Its IUPAC name is 1-methylsulfanylcyclopentene.

Molecular Properties

Compound Name1-methylsulfanylcyclopentene
PubChem CID5325880
Molecular FormulaC6H10S
Molecular Weight114.21 g/mol
Exact Mass114.05
IUPAC Name1-methylsulfanylcyclopentene
SMILESCSC1=CCCC1
InChIInChI=1S/C6H10S/c1-7-6-4-2-3-5-6/h4H,2-3,5H2,1H3
InChIKeyRJOUDONZIAHWBI-UHFFFAOYSA-N
XLogP2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.21
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Methyl-2,3-dihydrothiophene
CID 559083
1-(Methylthio)cyclohexene
CID 5325878
2-Ethyl-5-methyl-2,5-dihydrothiophene
CID 12204283
2-Ethyl-2,5-dihydrothiophene
CID 12596162
2-Propyl-2,5-dihydrothiophene
CID 15032355
5-Butyl-2,3-dihydrothiophene
CID 11062496
3-Methylsulfanylcyclopentene
CID 13244645
3-Ethylsulfanylcyclopentene
CID 13244646
1-Butylsulfanylcyclopentene
CID 134985704
2-Ethyl-4,5-dihydrothiophene
CID 12613684
2-[(E)-prop-1-enyl]thiolane
CID 21587551
1-Hexylsulfanylcyclopentene
CID 11286871

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanylcyclopentene?
The IUPAC name of 1-methylsulfanylcyclopentene (CID 5325880) is 1-methylsulfanylcyclopentene.
What is the SMILES notation for 1-methylsulfanylcyclopentene?
The canonical SMILES for 1-methylsulfanylcyclopentene is CSC1=CCCC1.
What is the InChIKey of 1-methylsulfanylcyclopentene?
The InChIKey is RJOUDONZIAHWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S/c1-7-6-4-2-3-5-6/h4H,2-3,5H2,1H3.
What are the key properties of 1-methylsulfanylcyclopentene?
1-methylsulfanylcyclopentene has a molecular weight of 114.21 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanylcyclopentene is sourced from PubChem (CID 5325880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).