5-prop-2-enylsulfanylpentane-1-thiol

C8H16S2 — CID 130508037

IUPAC5-prop-2-enylsulfanylpentane-1-thiol
SMILESC=CCSCCCCCS
InChIInChI=1S/C8H16S2/c1-2-7-10-8-5-3-4-6-9/h2,9H,1,3-8H2
InChIKeyPWHSHWGXOQUIMK-UHFFFAOYSA-N
MW176.35 g/mol
LogP3.01
Rot. Bonds7

About 5-prop-2-enylsulfanylpentane-1-thiol

5-prop-2-enylsulfanylpentane-1-thiol (PubChem CID 130508037) has the molecular formula C8H16S2 and a molecular weight of 176.35 g/mol. Its IUPAC name is 5-prop-2-enylsulfanylpentane-1-thiol.

Molecular Properties

Compound Name5-prop-2-enylsulfanylpentane-1-thiol
PubChem CID130508037
Molecular FormulaC8H16S2
Molecular Weight176.35 g/mol
Exact Mass176.07
IUPAC Name5-prop-2-enylsulfanylpentane-1-thiol
SMILESC=CCSCCCCCS
InChIInChI=1S/C8H16S2/c1-2-7-10-8-5-3-4-6-9/h2,9H,1,3-8H2
InChIKeyPWHSHWGXOQUIMK-UHFFFAOYSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

dodecane-1-thiol;3-prop-2-enylsulfanylprop-1-ene
CID 174643113
methane;3-prop-2-enylsulfanylprop-1-ene;2-(2-sulfanylethylsulfanyl)ethanethiol;2-[2-[3-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]propylsulfanyl]propylsulfanyl]ethylsulfanyl]ethanethiol
CID 161025250
6-ethylsulfanylhexane-1-thiol
CID 23423869
8-prop-2-enylsulfanyloctanamide
CID 123372777
1-hexylsulfanylhexane;palladium;3-prop-2-enylsulfanylprop-1-ene
CID 88666394
5-prop-2-enylsulfanylpent-1-yne
CID 10464413
9-pentylsulfanylnonane-1-thiol
CID 107766456
3-(2-ethylsulfanylethylsulfanyl)prop-1-ene
CID 131107230
4-(sulfanylmethylsulfanylmethylsulfanyl)butane-1-thiol
CID 139816252
octatriacontane-1,38-dithiol
CID 154319638
tetracosane-1,24-dithiol
CID 87293915
CID 155629573
CID 155629573

Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enylsulfanylpentane-1-thiol?
The IUPAC name of 5-prop-2-enylsulfanylpentane-1-thiol (CID 130508037) is 5-prop-2-enylsulfanylpentane-1-thiol.
What is the SMILES notation for 5-prop-2-enylsulfanylpentane-1-thiol?
The canonical SMILES for 5-prop-2-enylsulfanylpentane-1-thiol is C=CCSCCCCCS.
What is the InChIKey of 5-prop-2-enylsulfanylpentane-1-thiol?
The InChIKey is PWHSHWGXOQUIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S2/c1-2-7-10-8-5-3-4-6-9/h2,9H,1,3-8H2.
What are the key properties of 5-prop-2-enylsulfanylpentane-1-thiol?
5-prop-2-enylsulfanylpentane-1-thiol has a molecular weight of 176.35 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enylsulfanylpentane-1-thiol is sourced from PubChem (CID 130508037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).