(3E,5Z)-3,5-bis(thiophen-3-ylmethylidene)thian-4-one

C15H12OS3 — CID 47006177

IUPAC(3E,5Z)-3,5-bis(thiophen-3-ylmethylidene)thian-4-one
SMILESO=C1/C(=C/c2ccsc2)CSC/C1=C/c1ccsc1
InChIInChI=1S/C15H12OS3/c16-15-13(5-11-1-3-17-7-11)9-19-10-14(15)6-12-2-4-18-8-12/h1-8H,9-10H2/b13-5-,14-6+
InChIKeyFGVZVWVANXBFDY-FUJGBLOQSA-N
MW304.46 g/mol
LogP4.59
Rot. Bonds2

About (3E,5Z)-3,5-bis(thiophen-3-ylmethylidene)thian-4-one

(3E,5Z)-3,5-bis(thiophen-3-ylmethylidene)thian-4-one (PubChem CID 47006177) has the molecular formula C15H12OS3 and a molecular weight of 304.46 g/mol. Its IUPAC name is (3E,5Z)-3,5-bis(thiophen-3-ylmethylidene)thian-4-one.

Molecular Properties

Compound Name(3E,5Z)-3,5-bis(thiophen-3-ylmethylidene)thian-4-one
PubChem CID47006177
Molecular FormulaC15H12OS3
Molecular Weight304.46 g/mol
Exact Mass304.01
IUPAC Name(3E,5Z)-3,5-bis(thiophen-3-ylmethylidene)thian-4-one
SMILESO=C1/C(=C/c2ccsc2)CSC/C1=C/c1ccsc1
InChIInChI=1S/C15H12OS3/c16-15-13(5-11-1-3-17-7-11)9-19-10-14(15)6-12-2-4-18-8-12/h1-8H,9-10H2/b13-5-,14-6+
InChIKeyFGVZVWVANXBFDY-FUJGBLOQSA-N
XLogP4.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Sdccgsbi-0633807.P001
CID 44828491
(3E,5E)-3,5-bis(thiophen-3-ylmethylidene)oxan-4-one
CID 6275890
(3Z,5Z)-3,5-bis(thiophen-3-ylmethylidene)thian-4-one
CID 31577888
2,6-Bis(3-thienylmethylene)cyclohexanone
CID 1820729
(2E,5E)-2,5-bis(thiophen-3-ylmethylidene)cyclopentan-1-one
CID 5886762
(1E,4E)-1,5-bis(3-methylthiophen-2-yl)penta-1,4-dien-3-one
CID 44582166
(2Z,4Z)-2,4-Bis[(thiophen-3-YL)methylidene]thiolan-3-one
CID 6002448
1,3-Di(3-thienyl)-2-propen-1-one
CID 5467682
2,4-Bis(thiophen-2-ylmethylidene)thiolan-3-one
CID 2799506
(2E,4Z)-2,4-Bis[(thiophen-2-YL)methylidene]thiolan-3-one
CID 5712799
(2Z,6E)-4-Methyl-2,6-bis[(thiophen-3-YL)methylidene]cyclohexan-1-one
CID 6370976
(2Z,4Z)-2,4-bis(thiophen-2-ylmethylidene)thiolan-3-one
CID 6372177

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3,5-bis(thiophen-3-ylmethylidene)thian-4-one?
The IUPAC name of (3E,5Z)-3,5-bis(thiophen-3-ylmethylidene)thian-4-one (CID 47006177) is (3E,5Z)-3,5-bis(thiophen-3-ylmethylidene)thian-4-one.
What is the SMILES notation for (3E,5Z)-3,5-bis(thiophen-3-ylmethylidene)thian-4-one?
The canonical SMILES for (3E,5Z)-3,5-bis(thiophen-3-ylmethylidene)thian-4-one is O=C1/C(=C/c2ccsc2)CSC/C1=C/c1ccsc1.
What is the InChIKey of (3E,5Z)-3,5-bis(thiophen-3-ylmethylidene)thian-4-one?
The InChIKey is FGVZVWVANXBFDY-FUJGBLOQSA-N. The full InChI is InChI=1S/C15H12OS3/c16-15-13(5-11-1-3-17-7-11)9-19-10-14(15)6-12-2-4-18-8-12/h1-8H,9-10H2/b13-5-,14-6+.
What are the key properties of (3E,5Z)-3,5-bis(thiophen-3-ylmethylidene)thian-4-one?
(3E,5Z)-3,5-bis(thiophen-3-ylmethylidene)thian-4-one has a molecular weight of 304.46 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3,5-bis(thiophen-3-ylmethylidene)thian-4-one is sourced from PubChem (CID 47006177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).