2-ethylsulfanyl-3-propylthiirane

C7H14S2 — CID 151728970

IUPAC2-ethylsulfanyl-3-propylthiirane
SMILESCCCC1SC1SCC
InChIInChI=1S/C7H14S2/c1-3-5-6-7(9-6)8-4-2/h6-7H,3-5H2,1-2H3
InChIKeyRKDYLDDZCPOIIH-UHFFFAOYSA-N
MW162.32 g/mol
LogP2.98
Rot. Bonds4

About 2-ethylsulfanyl-3-propylthiirane

2-ethylsulfanyl-3-propylthiirane (PubChem CID 151728970) has the molecular formula C7H14S2 and a molecular weight of 162.32 g/mol. Its IUPAC name is 2-ethylsulfanyl-3-propylthiirane.

Molecular Properties

Compound Name2-ethylsulfanyl-3-propylthiirane
PubChem CID151728970
Molecular FormulaC7H14S2
Molecular Weight162.32 g/mol
Exact Mass162.05
IUPAC Name2-ethylsulfanyl-3-propylthiirane
SMILESCCCC1SC1SCC
InChIInChI=1S/C7H14S2/c1-3-5-6-7(9-6)8-4-2/h6-7H,3-5H2,1-2H3
InChIKeyRKDYLDDZCPOIIH-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-2,3-dipropyl-1,4-dithiane
CID 643418
1-ethylsulfanyl-2-propylcyclobutane
CID 170100515
2,4-dimethyl-3-octyl-5-propylthiolane
CID 170050469
2,3,5,6-tetrabutyl-1,4-dithiane
CID 20721731
3-ethylsulfanyl-4-propylpyrrolidine-2,5-dione
CID 58947001
3-ethylsulfanylcyclopropene
CID 89235115
9-propyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene
CID 12574118
(2S,3S)-2-propylthiolan-3-ol
CID 10419326
1-ethylsulfanyl-4-methylcyclohexane
CID 118564055
3-ethyldioxirane
CID 20507404
(2S,3R,4R,5R,6S)-2-ethylsulfanyl-6-methyloxane-3,4,5-triol
CID 11138309
(4R,5R)-2-methyl-4,5-dipropyl-4,5-dihydro-1,3-thiazole
CID 102372571

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-3-propylthiirane?
The IUPAC name of 2-ethylsulfanyl-3-propylthiirane (CID 151728970) is 2-ethylsulfanyl-3-propylthiirane.
What is the SMILES notation for 2-ethylsulfanyl-3-propylthiirane?
The canonical SMILES for 2-ethylsulfanyl-3-propylthiirane is CCCC1SC1SCC.
What is the InChIKey of 2-ethylsulfanyl-3-propylthiirane?
The InChIKey is RKDYLDDZCPOIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S2/c1-3-5-6-7(9-6)8-4-2/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-3-propylthiirane?
2-ethylsulfanyl-3-propylthiirane has a molecular weight of 162.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-3-propylthiirane is sourced from PubChem (CID 151728970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).