(E)-1-(diethylamino)hex-1-ene-1-thiol

C10H21NS — CID 134875843

IUPAC(E)-1-(diethylamino)hex-1-ene-1-thiol
SMILESCCCC/C=C(/S)N(CC)CC
InChIInChI=1S/C10H21NS/c1-4-7-8-9-10(12)11(5-2)6-3/h9,12H,4-8H2,1-3H3/b10-9+
InChIKeyQDBHYZVSCNYJFS-MDZDMXLPSA-N
MW187.35 g/mol
LogP3.29
Rot. Bonds6

About (E)-1-(diethylamino)hex-1-ene-1-thiol

(E)-1-(diethylamino)hex-1-ene-1-thiol (PubChem CID 134875843) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is (E)-1-(diethylamino)hex-1-ene-1-thiol.

Molecular Properties

Compound Name(E)-1-(diethylamino)hex-1-ene-1-thiol
PubChem CID134875843
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name(E)-1-(diethylamino)hex-1-ene-1-thiol
SMILESCCCC/C=C(/S)N(CC)CC
InChIInChI=1S/C10H21NS/c1-4-7-8-9-10(12)11(5-2)6-3/h9,12H,4-8H2,1-3H3/b10-9+
InChIKeyQDBHYZVSCNYJFS-MDZDMXLPSA-N
XLogP3.29
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(dimethylamino)hex-1-ene-1-thiolate
CID 134875767
(E)-1-(diethylamino)hex-1-ene-1-thiolate
CID 134875842
(E)-1-(diethylamino)but-1-ene-1-thiolate
CID 134893822
(E)-1-(dimethylamino)hex-1-ene-1-thiol
CID 134875768
(E)-1-(diethylamino)but-1-ene-1-thiol
CID 134893823

Frequently Asked Questions

What is the IUPAC name of (E)-1-(diethylamino)hex-1-ene-1-thiol?
The IUPAC name of (E)-1-(diethylamino)hex-1-ene-1-thiol (CID 134875843) is (E)-1-(diethylamino)hex-1-ene-1-thiol.
What is the SMILES notation for (E)-1-(diethylamino)hex-1-ene-1-thiol?
The canonical SMILES for (E)-1-(diethylamino)hex-1-ene-1-thiol is CCCC/C=C(/S)N(CC)CC.
What is the InChIKey of (E)-1-(diethylamino)hex-1-ene-1-thiol?
The InChIKey is QDBHYZVSCNYJFS-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H21NS/c1-4-7-8-9-10(12)11(5-2)6-3/h9,12H,4-8H2,1-3H3/b10-9+.
What are the key properties of (E)-1-(diethylamino)hex-1-ene-1-thiol?
(E)-1-(diethylamino)hex-1-ene-1-thiol has a molecular weight of 187.35 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(diethylamino)hex-1-ene-1-thiol is sourced from PubChem (CID 134875843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).