dec-1-ene-5-thiol

C10H20S — CID 12575097

IUPACdec-1-ene-5-thiol
SMILESC=CCCC(S)CCCCC
InChIInChI=1S/C10H20S/c1-3-5-7-9-10(11)8-6-4-2/h4,10-11H,2-3,5-9H2,1H3
InChIKeyAFEKWLGQVRPBGO-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.83
Rot. Bonds7

About dec-1-ene-5-thiol

dec-1-ene-5-thiol (PubChem CID 12575097) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is dec-1-ene-5-thiol.

Molecular Properties

Compound Namedec-1-ene-5-thiol
PubChem CID12575097
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Namedec-1-ene-5-thiol
SMILESC=CCCC(S)CCCCC
InChIInChI=1S/C10H20S/c1-3-5-7-9-10(11)8-6-4-2/h4,10-11H,2-3,5-9H2,1H3
InChIKeyAFEKWLGQVRPBGO-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

Undec-10-ene-1-thiol
CID 15481056
[(Z)-dec-1-enyl]-pentafluoro-lambda6-sulfane
CID 176437559
[(E)-dec-1-enyl]sulfanyl-trimethylsilane
CID 15415440
(E)-1-methylsulfanyldodec-1-ene
CID 12593926
2-Octyl-2,3-dihydrothiophene
CID 15482765
Decene mercaptan
CID 20397988
Octene Thiole
CID 20398116
Dodecenyl methyl sulfoxide
CID 54427791
Heptanthiolen
CID 57508016
(Z)-octadec-9-ene-1-thiol
CID 71309667
Octenothiol
CID 73677744
Thiocetene
CID 87108994

Frequently Asked Questions

What is the IUPAC name of dec-1-ene-5-thiol?
The IUPAC name of dec-1-ene-5-thiol (CID 12575097) is dec-1-ene-5-thiol.
What is the SMILES notation for dec-1-ene-5-thiol?
The canonical SMILES for dec-1-ene-5-thiol is C=CCCC(S)CCCCC.
What is the InChIKey of dec-1-ene-5-thiol?
The InChIKey is AFEKWLGQVRPBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20S/c1-3-5-7-9-10(11)8-6-4-2/h4,10-11H,2-3,5-9H2,1H3.
What are the key properties of dec-1-ene-5-thiol?
dec-1-ene-5-thiol has a molecular weight of 172.34 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dec-1-ene-5-thiol is sourced from PubChem (CID 12575097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).