(3R,4S)-3,4-dimethyl-1-methylsulfanylcyclopentene

C8H14S — CID 15982695

IUPAC(3R,4S)-3,4-dimethyl-1-methylsulfanylcyclopentene
SMILESCSC1=C[C@H](C)[C@@H](C)C1
InChIInChI=1S/C8H14S/c1-6-4-8(9-3)5-7(6)2/h4,6-7H,5H2,1-3H3/t6-,7-/m0/s1
InChIKeyAZIKIRHNHQJEMR-BQBZGAKWSA-N
MW142.27 g/mol
LogP2.91
Rot. Bonds1

About (3R,4S)-3,4-dimethyl-1-methylsulfanylcyclopentene

(3R,4S)-3,4-dimethyl-1-methylsulfanylcyclopentene (PubChem CID 15982695) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is (3R,4S)-3,4-dimethyl-1-methylsulfanylcyclopentene.

Molecular Properties

Compound Name(3R,4S)-3,4-dimethyl-1-methylsulfanylcyclopentene
PubChem CID15982695
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name(3R,4S)-3,4-dimethyl-1-methylsulfanylcyclopentene
SMILESCSC1=C[C@H](C)[C@@H](C)C1
InChIInChI=1S/C8H14S/c1-6-4-8(9-3)5-7(6)2/h4,6-7H,5H2,1-3H3/t6-,7-/m0/s1
InChIKeyAZIKIRHNHQJEMR-BQBZGAKWSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4-dimethyl-1-methylsulfanylcyclopentene?
The IUPAC name of (3R,4S)-3,4-dimethyl-1-methylsulfanylcyclopentene (CID 15982695) is (3R,4S)-3,4-dimethyl-1-methylsulfanylcyclopentene.
What is the SMILES notation for (3R,4S)-3,4-dimethyl-1-methylsulfanylcyclopentene?
The canonical SMILES for (3R,4S)-3,4-dimethyl-1-methylsulfanylcyclopentene is CSC1=C[C@H](C)[C@@H](C)C1.
What is the InChIKey of (3R,4S)-3,4-dimethyl-1-methylsulfanylcyclopentene?
The InChIKey is AZIKIRHNHQJEMR-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H14S/c1-6-4-8(9-3)5-7(6)2/h4,6-7H,5H2,1-3H3/t6-,7-/m0/s1.
What are the key properties of (3R,4S)-3,4-dimethyl-1-methylsulfanylcyclopentene?
(3R,4S)-3,4-dimethyl-1-methylsulfanylcyclopentene has a molecular weight of 142.27 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-dimethyl-1-methylsulfanylcyclopentene is sourced from PubChem (CID 15982695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).