5-(3-ethylsulfanylpropylsulfanyl)pent-1-ene

C10H20S2 — CID 11820260

IUPAC5-(3-ethylsulfanylpropylsulfanyl)pent-1-ene
SMILESC=CCCCSCCCSCC
InChIInChI=1S/C10H20S2/c1-3-5-6-8-12-10-7-9-11-4-2/h3H,1,4-10H2,2H3
InChIKeyNMOBKBUGZBUSJX-UHFFFAOYSA-N
MW204.40 g/mol
LogP3.83
Rot. Bonds9

About 5-(3-ethylsulfanylpropylsulfanyl)pent-1-ene

5-(3-ethylsulfanylpropylsulfanyl)pent-1-ene (PubChem CID 11820260) has the molecular formula C10H20S2 and a molecular weight of 204.40 g/mol. Its IUPAC name is 5-(3-ethylsulfanylpropylsulfanyl)pent-1-ene.

Molecular Properties

Compound Name5-(3-ethylsulfanylpropylsulfanyl)pent-1-ene
PubChem CID11820260
Molecular FormulaC10H20S2
Molecular Weight204.40 g/mol
Exact Mass204.10
IUPAC Name5-(3-ethylsulfanylpropylsulfanyl)pent-1-ene
SMILESC=CCCCSCCCSCC
InChIInChI=1S/C10H20S2/c1-3-5-6-8-12-10-7-9-11-4-2/h3H,1,4-10H2,2H3
InChIKeyNMOBKBUGZBUSJX-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.40
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(3-but-3-enylsulfanylpropylsulfanyl)but-1-ene
CID 59551659
6-propylsulfanylhex-1-ene
CID 23466654
carbon monoxide;cobalt;9-ethylsulfanylnon-1-en-6-yne
CID 11048940
5-(2-methylpropylsulfanyl)pent-1-ene
CID 130683764
5-but-2-ynylsulfanylpent-1-ene
CID 130642386
4-hex-5-enylsulfanylbutan-1-ol
CID 132567975
buta-1,3-diene;ethylsulfanylethane
CID 88659093
1-ethylsulfanyl-2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethane
CID 121008102
3-(2-ethylsulfanylethylsulfanyl)prop-1-ene
CID 131107230
N-ethenyl-N-ethyl-3-ethylsulfanylpropan-1-amine
CID 156751270
hex-1-ene;zinc
CID 174554611
(E)-7-ethylsulfanylhept-2-ene
CID 173027184

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylsulfanylpropylsulfanyl)pent-1-ene?
The IUPAC name of 5-(3-ethylsulfanylpropylsulfanyl)pent-1-ene (CID 11820260) is 5-(3-ethylsulfanylpropylsulfanyl)pent-1-ene.
What is the SMILES notation for 5-(3-ethylsulfanylpropylsulfanyl)pent-1-ene?
The canonical SMILES for 5-(3-ethylsulfanylpropylsulfanyl)pent-1-ene is C=CCCCSCCCSCC.
What is the InChIKey of 5-(3-ethylsulfanylpropylsulfanyl)pent-1-ene?
The InChIKey is NMOBKBUGZBUSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20S2/c1-3-5-6-8-12-10-7-9-11-4-2/h3H,1,4-10H2,2H3.
What are the key properties of 5-(3-ethylsulfanylpropylsulfanyl)pent-1-ene?
5-(3-ethylsulfanylpropylsulfanyl)pent-1-ene has a molecular weight of 204.40 g/mol, XLogP of 3.83, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylsulfanylpropylsulfanyl)pent-1-ene is sourced from PubChem (CID 11820260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).