4-(ethylamino)pent-3-ene-2-thione

C7H13NS — CID 72728390

IUPAC4-(ethylamino)pent-3-ene-2-thione
SMILESCCNC(C)=CC(C)=S
InChIInChI=1S/C7H13NS/c1-4-8-6(2)5-7(3)9/h5,8H,4H2,1-3H3
InChIKeySKLVLPCLGKTBBQ-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.89
Rot. Bonds3

About 4-(ethylamino)pent-3-ene-2-thione

4-(ethylamino)pent-3-ene-2-thione (PubChem CID 72728390) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 4-(ethylamino)pent-3-ene-2-thione.

Molecular Properties

Compound Name4-(ethylamino)pent-3-ene-2-thione
PubChem CID72728390
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name4-(ethylamino)pent-3-ene-2-thione
SMILESCCNC(C)=CC(C)=S
InChIInChI=1S/C7H13NS/c1-4-8-6(2)5-7(3)9/h5,8H,4H2,1-3H3
InChIKeySKLVLPCLGKTBBQ-UHFFFAOYSA-N
XLogP1.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)pent-3-ene-2-thione?
The IUPAC name of 4-(ethylamino)pent-3-ene-2-thione (CID 72728390) is 4-(ethylamino)pent-3-ene-2-thione.
What is the SMILES notation for 4-(ethylamino)pent-3-ene-2-thione?
The canonical SMILES for 4-(ethylamino)pent-3-ene-2-thione is CCNC(C)=CC(C)=S.
What is the InChIKey of 4-(ethylamino)pent-3-ene-2-thione?
The InChIKey is SKLVLPCLGKTBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-4-8-6(2)5-7(3)9/h5,8H,4H2,1-3H3.
What are the key properties of 4-(ethylamino)pent-3-ene-2-thione?
4-(ethylamino)pent-3-ene-2-thione has a molecular weight of 143.25 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)pent-3-ene-2-thione is sourced from PubChem (CID 72728390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).