(Z)-5-(thian-2-yl)pent-3-enal

C10H16OS — CID 117267740

IUPAC(Z)-5-(thian-2-yl)pent-3-enal
SMILESO=CC/C=C\CC1CCCCS1
InChIInChI=1S/C10H16OS/c11-8-4-1-2-6-10-7-3-5-9-12-10/h1-2,8,10H,3-7,9H2/b2-1-
InChIKeyRFZINRWWSAQZJU-UPHRSURJSA-N
MW184.30 g/mol
LogP2.81
Rot. Bonds4

About (Z)-5-(thian-2-yl)pent-3-enal

(Z)-5-(thian-2-yl)pent-3-enal (PubChem CID 117267740) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is (Z)-5-(thian-2-yl)pent-3-enal.

Molecular Properties

Compound Name(Z)-5-(thian-2-yl)pent-3-enal
PubChem CID117267740
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name(Z)-5-(thian-2-yl)pent-3-enal
SMILESO=CC/C=C\CC1CCCCS1
InChIInChI=1S/C10H16OS/c11-8-4-1-2-6-10-7-3-5-9-12-10/h1-2,8,10H,3-7,9H2/b2-1-
InChIKeyRFZINRWWSAQZJU-UPHRSURJSA-N
XLogP2.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-(thian-2-yl)pent-3-enal?
The IUPAC name of (Z)-5-(thian-2-yl)pent-3-enal (CID 117267740) is (Z)-5-(thian-2-yl)pent-3-enal.
What is the SMILES notation for (Z)-5-(thian-2-yl)pent-3-enal?
The canonical SMILES for (Z)-5-(thian-2-yl)pent-3-enal is O=CC/C=C\CC1CCCCS1.
What is the InChIKey of (Z)-5-(thian-2-yl)pent-3-enal?
The InChIKey is RFZINRWWSAQZJU-UPHRSURJSA-N. The full InChI is InChI=1S/C10H16OS/c11-8-4-1-2-6-10-7-3-5-9-12-10/h1-2,8,10H,3-7,9H2/b2-1-.
What are the key properties of (Z)-5-(thian-2-yl)pent-3-enal?
(Z)-5-(thian-2-yl)pent-3-enal has a molecular weight of 184.30 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(thian-2-yl)pent-3-enal is sourced from PubChem (CID 117267740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).