(3E)-3-(furan-2-ylmethylidene)-5-phenylfuran-2-thione

C15H10O2S — CID 10706116

IUPAC(3E)-3-(furan-2-ylmethylidene)-5-phenylfuran-2-thione
SMILESS=C1OC(c2ccccc2)=C/C1=C\c1ccco1
InChIInChI=1S/C15H10O2S/c18-15-12(9-13-7-4-8-16-13)10-14(17-15)11-5-2-1-3-6-11/h1-10H/b12-9+
InChIKeyRFTWOHFPWWKDRP-FMIVXFBMSA-N
MW254.31 g/mol
LogP4.06
Rot. Bonds2

About (3E)-3-(furan-2-ylmethylidene)-5-phenylfuran-2-thione

(3E)-3-(furan-2-ylmethylidene)-5-phenylfuran-2-thione (PubChem CID 10706116) has the molecular formula C15H10O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is (3E)-3-(furan-2-ylmethylidene)-5-phenylfuran-2-thione.

Molecular Properties

Compound Name(3E)-3-(furan-2-ylmethylidene)-5-phenylfuran-2-thione
PubChem CID10706116
Molecular FormulaC15H10O2S
Molecular Weight254.31 g/mol
Exact Mass254.04
IUPAC Name(3E)-3-(furan-2-ylmethylidene)-5-phenylfuran-2-thione
SMILESS=C1OC(c2ccccc2)=C/C1=C\c1ccco1
InChIInChI=1S/C15H10O2S/c18-15-12(9-13-7-4-8-16-13)10-14(17-15)11-5-2-1-3-6-11/h1-10H/b12-9+
InChIKeyRFTWOHFPWWKDRP-FMIVXFBMSA-N
XLogP4.06
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-(furan-2-ylmethylidene)-5-(4-methoxyphenyl)furan-2-thione
CID 10779410
3-(morpholin-4-ium-4-ylmethylidene)-5-phenylfuran-2-thione
CID 3383049
(3Z)-3-[(2-hydroxyphenyl)methylidene]-5-phenylfuran-2-one
CID 6272528
3-[(2-bromophenyl)methylidene]-5-phenylfuran-2-one
CID 888387
2-[2-[2-[2-(furan-2-yl)ethenyl]phenyl]ethenyl]furan
CID 91360504
5-(2,5-dimethoxyphenyl)-3-(furan-2-ylmethylidene)furan-2-one
CID 782127
5-(furan-2-ylmethylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one
CID 936275
(3E)-3-(furan-2-ylmethylidene)-N-phenylindene-1-carboxamide
CID 142730274
2-[(E)-2-phenylethenyl]furan
CID 642118
(3E)-3-(dimethylaminomethylidene)-5-phenylfuran-2-one
CID 762462
4-(furan-2-ylmethylidene)isochromene-1,3-dione
CID 587564
2-[(E)-2-bromoethenyl]furan
CID 10899150

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(furan-2-ylmethylidene)-5-phenylfuran-2-thione?
The IUPAC name of (3E)-3-(furan-2-ylmethylidene)-5-phenylfuran-2-thione (CID 10706116) is (3E)-3-(furan-2-ylmethylidene)-5-phenylfuran-2-thione.
What is the SMILES notation for (3E)-3-(furan-2-ylmethylidene)-5-phenylfuran-2-thione?
The canonical SMILES for (3E)-3-(furan-2-ylmethylidene)-5-phenylfuran-2-thione is S=C1OC(c2ccccc2)=C/C1=C\c1ccco1.
What is the InChIKey of (3E)-3-(furan-2-ylmethylidene)-5-phenylfuran-2-thione?
The InChIKey is RFTWOHFPWWKDRP-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H10O2S/c18-15-12(9-13-7-4-8-16-13)10-14(17-15)11-5-2-1-3-6-11/h1-10H/b12-9+.
What are the key properties of (3E)-3-(furan-2-ylmethylidene)-5-phenylfuran-2-thione?
(3E)-3-(furan-2-ylmethylidene)-5-phenylfuran-2-thione has a molecular weight of 254.31 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(furan-2-ylmethylidene)-5-phenylfuran-2-thione is sourced from PubChem (CID 10706116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).