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

C10H20NS- — CID 134875842

IUPAC(E)-1-(diethylamino)hex-1-ene-1-thiolate
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/p-1/b10-9+
InChIKeyQDBHYZVSCNYJFS-MDZDMXLPSA-M
MW186.34 g/mol
LogP2.91
Rot. Bonds6

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

(E)-1-(diethylamino)hex-1-ene-1-thiolate (PubChem CID 134875842) has the molecular formula C10H20NS- and a molecular weight of 186.34 g/mol. Its IUPAC name is (E)-1-(diethylamino)hex-1-ene-1-thiolate.

Molecular Properties

Compound Name(E)-1-(diethylamino)hex-1-ene-1-thiolate
PubChem CID134875842
Molecular FormulaC10H20NS-
Molecular Weight186.34 g/mol
Exact Mass186.13
IUPAC Name(E)-1-(diethylamino)hex-1-ene-1-thiolate
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/p-1/b10-9+
InChIKeyQDBHYZVSCNYJFS-MDZDMXLPSA-M
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(dimethylamino)hex-1-ene-1-thiolate
CID 134875767
(E)-1-(diethylamino)but-1-ene-1-thiolate
CID 134893822
(E)-N,N-diethyl-1-ethylsulfanylhex-1-en-1-amine
CID 134923136
(E)-1-(dimethylamino)hex-1-ene-3-thione
CID 21718239
(E)-1-(dimethylamino)hex-1-ene-1-thiol
CID 134875768
(E)-1-(diethylamino)hex-1-ene-1-thiol
CID 134875843
(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-thiolate?
The IUPAC name of (E)-1-(diethylamino)hex-1-ene-1-thiolate (CID 134875842) is (E)-1-(diethylamino)hex-1-ene-1-thiolate.
What is the SMILES notation for (E)-1-(diethylamino)hex-1-ene-1-thiolate?
The canonical SMILES for (E)-1-(diethylamino)hex-1-ene-1-thiolate is CCCC/C=C(/[S-])N(CC)CC.
What is the InChIKey of (E)-1-(diethylamino)hex-1-ene-1-thiolate?
The InChIKey is QDBHYZVSCNYJFS-MDZDMXLPSA-M. 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/p-1/b10-9+.
What are the key properties of (E)-1-(diethylamino)hex-1-ene-1-thiolate?
(E)-1-(diethylamino)hex-1-ene-1-thiolate has a molecular weight of 186.34 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(diethylamino)hex-1-ene-1-thiolate is sourced from PubChem (CID 134875842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).