5-ethylsulfanylpent-1-yne

C7H12S — CID 10261109

IUPAC5-ethylsulfanylpent-1-yne
SMILESC#CCCCSCC
InChIInChI=1S/C7H12S/c1-3-5-6-7-8-4-2/h1H,4-7H2,2H3
InChIKeyKPIKWDRHHHHJIF-UHFFFAOYSA-N
MW128.24 g/mol
LogP2.15
Rot. Bonds4

About 5-ethylsulfanylpent-1-yne

5-ethylsulfanylpent-1-yne (PubChem CID 10261109) has the molecular formula C7H12S and a molecular weight of 128.24 g/mol. Its IUPAC name is 5-ethylsulfanylpent-1-yne.

Molecular Properties

Compound Name5-ethylsulfanylpent-1-yne
PubChem CID10261109
Molecular FormulaC7H12S
Molecular Weight128.24 g/mol
Exact Mass128.07
IUPAC Name5-ethylsulfanylpent-1-yne
SMILESC#CCCCSCC
InChIInChI=1S/C7H12S/c1-3-5-6-7-8-4-2/h1H,4-7H2,2H3
InChIKeyKPIKWDRHHHHJIF-UHFFFAOYSA-N
XLogP2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(Propan-2-ylsulfanyl)prop-1-yne
CID 303401
3-(Ethylsulfanyl)prop-1-yne
CID 522480
Sulfide, butyl 2-propynyl
CID 205062
4-(Ethylsulfanyl)but-1-yne
CID 13347620
4-(Ethylsulfanyl)-3-methylbut-1-yne
CID 91804333
Propyl propargyl sulfide
CID 525484
5,5-Dimethyl-4-thia-1-hexyne
CID 525491
1-(Ethylsulfanyl)but-1-yne
CID 351719
Dimethyl(prop-2-ynyl)sulfanium
CID 3084403
1-Ethynylsulfanylbutane
CID 11126223
Prop-2-ynyl propanedithioate
CID 12384780
1-(Ethynylsulfanyl)propane
CID 12714709

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanylpent-1-yne?
The IUPAC name of 5-ethylsulfanylpent-1-yne (CID 10261109) is 5-ethylsulfanylpent-1-yne.
What is the SMILES notation for 5-ethylsulfanylpent-1-yne?
The canonical SMILES for 5-ethylsulfanylpent-1-yne is C#CCCCSCC.
What is the InChIKey of 5-ethylsulfanylpent-1-yne?
The InChIKey is KPIKWDRHHHHJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12S/c1-3-5-6-7-8-4-2/h1H,4-7H2,2H3.
What are the key properties of 5-ethylsulfanylpent-1-yne?
5-ethylsulfanylpent-1-yne has a molecular weight of 128.24 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanylpent-1-yne is sourced from PubChem (CID 10261109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).