(E,5R)-dec-6-ene-5-thiol

C10H20S — CID 134960876

IUPAC(E,5R)-dec-6-ene-5-thiol
SMILESCCC/C=C/[C@H](S)CCCC
InChIInChI=1S/C10H20S/c1-3-5-7-9-10(11)8-6-4-2/h7,9-11H,3-6,8H2,1-2H3/b9-7+/t10-/m1/s1
InChIKeyKZBIRLWESYSJLM-TTZKWOQHSA-N
MW172.34 g/mol
LogP3.83
Rot. Bonds6

About (E,5R)-dec-6-ene-5-thiol

(E,5R)-dec-6-ene-5-thiol (PubChem CID 134960876) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is (E,5R)-dec-6-ene-5-thiol.

Molecular Properties

Compound Name(E,5R)-dec-6-ene-5-thiol
PubChem CID134960876
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name(E,5R)-dec-6-ene-5-thiol
SMILESCCC/C=C/[C@H](S)CCCC
InChIInChI=1S/C10H20S/c1-3-5-7-9-10(11)8-6-4-2/h7,9-11H,3-6,8H2,1-2H3/b9-7+/t10-/m1/s1
InChIKeyKZBIRLWESYSJLM-TTZKWOQHSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,5R)-dec-6-ene-5-thiol?
The IUPAC name of (E,5R)-dec-6-ene-5-thiol (CID 134960876) is (E,5R)-dec-6-ene-5-thiol.
What is the SMILES notation for (E,5R)-dec-6-ene-5-thiol?
The canonical SMILES for (E,5R)-dec-6-ene-5-thiol is CCC/C=C/[C@H](S)CCCC.
What is the InChIKey of (E,5R)-dec-6-ene-5-thiol?
The InChIKey is KZBIRLWESYSJLM-TTZKWOQHSA-N. The full InChI is InChI=1S/C10H20S/c1-3-5-7-9-10(11)8-6-4-2/h7,9-11H,3-6,8H2,1-2H3/b9-7+/t10-/m1/s1.
What are the key properties of (E,5R)-dec-6-ene-5-thiol?
(E,5R)-dec-6-ene-5-thiol has a molecular weight of 172.34 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R)-dec-6-ene-5-thiol is sourced from PubChem (CID 134960876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).