4-(propan-2-ylamino)pent-3-ene-2-thione

C8H15NS — CID 87477694

IUPAC4-(propan-2-ylamino)pent-3-ene-2-thione
SMILESCC(=S)C=C(C)NC(C)C
InChIInChI=1S/C8H15NS/c1-6(2)9-7(3)5-8(4)10/h5-6,9H,1-4H3
InChIKeyOGSQLHAYVHBAKX-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.28
Rot. Bonds3

About 4-(propan-2-ylamino)pent-3-ene-2-thione

4-(propan-2-ylamino)pent-3-ene-2-thione (PubChem CID 87477694) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 4-(propan-2-ylamino)pent-3-ene-2-thione.

Molecular Properties

Compound Name4-(propan-2-ylamino)pent-3-ene-2-thione
PubChem CID87477694
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name4-(propan-2-ylamino)pent-3-ene-2-thione
SMILESCC(=S)C=C(C)NC(C)C
InChIInChI=1S/C8H15NS/c1-6(2)9-7(3)5-8(4)10/h5-6,9H,1-4H3
InChIKeyOGSQLHAYVHBAKX-UHFFFAOYSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.28
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-(propan-2-ylamino)pent-3-ene-2-thione?
The IUPAC name of 4-(propan-2-ylamino)pent-3-ene-2-thione (CID 87477694) is 4-(propan-2-ylamino)pent-3-ene-2-thione.
What is the SMILES notation for 4-(propan-2-ylamino)pent-3-ene-2-thione?
The canonical SMILES for 4-(propan-2-ylamino)pent-3-ene-2-thione is CC(=S)C=C(C)NC(C)C.
What is the InChIKey of 4-(propan-2-ylamino)pent-3-ene-2-thione?
The InChIKey is OGSQLHAYVHBAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-6(2)9-7(3)5-8(4)10/h5-6,9H,1-4H3.
What are the key properties of 4-(propan-2-ylamino)pent-3-ene-2-thione?
4-(propan-2-ylamino)pent-3-ene-2-thione has a molecular weight of 157.28 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)pent-3-ene-2-thione is sourced from PubChem (CID 87477694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).