2-[[2-(thiophen-2-ylmethylidene)cyclohexylidene]methyl]thiophene

C16H16S2 — CID 139178721

IUPAC2-[[2-(thiophen-2-ylmethylidene)cyclohexylidene]methyl]thiophene
SMILESC(=C1CCCCC1=Cc1cccs1)c1cccs1
InChIInChI=1S/C16H16S2/c1-2-6-14(12-16-8-4-10-18-16)13(5-1)11-15-7-3-9-17-15/h3-4,7-12H,1-2,5-6H2
InChIKeyBACKWFRYURXZKF-UHFFFAOYSA-N
MW272.44 g/mol
LogP5.85
Rot. Bonds2

About 2-[[2-(thiophen-2-ylmethylidene)cyclohexylidene]methyl]thiophene

2-[[2-(thiophen-2-ylmethylidene)cyclohexylidene]methyl]thiophene (PubChem CID 139178721) has the molecular formula C16H16S2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-[[2-(thiophen-2-ylmethylidene)cyclohexylidene]methyl]thiophene.

Molecular Properties

Compound Name2-[[2-(thiophen-2-ylmethylidene)cyclohexylidene]methyl]thiophene
PubChem CID139178721
Molecular FormulaC16H16S2
Molecular Weight272.44 g/mol
Exact Mass272.07
IUPAC Name2-[[2-(thiophen-2-ylmethylidene)cyclohexylidene]methyl]thiophene
SMILESC(=C1CCCCC1=Cc1cccs1)c1cccs1
InChIInChI=1S/C16H16S2/c1-2-6-14(12-16-8-4-10-18-16)13(5-1)11-15-7-3-9-17-15/h3-4,7-12H,1-2,5-6H2
InChIKeyBACKWFRYURXZKF-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.44
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(thiophen-2-ylmethylidene)-1,3-dithiane
CID 15208498
4-(thiophen-2-ylmethylidene)piperidine
CID 79880613
2-[[4-(dimethylamino)phenyl]methylidene]-6-(thiophen-2-ylmethylidene)cyclohexan-1-one
CID 3808078
(1S,3Z,5S)-3,7-bis(thiophen-2-ylmethylidene)bicyclo[3.3.1]nonane-2,6-dione
CID 6858993
3-(thiophen-2-ylmethylidene)oxolane-2,5-dione
CID 54381733
(1R,3Z,5R)-3,7-bis(thiophen-2-ylmethylidene)bicyclo[3.3.1]nonane-2,6-dione
CID 915771
(1R,3E,5R)-3,7-bis(thiophen-2-ylmethylidene)bicyclo[3.3.1]nonane-2,6-dione
CID 744502
(2E,6E)-2-[(2E)-2-(dimethylhydrazinylidene)ethylidene]-6-(thiophen-2-ylmethylidene)cyclohexan-1-one
CID 42917262
(3E)-1-methyl-3-(thiophen-2-ylmethylidene)piperidin-4-one
CID 110540726
(2S)-2-(2-chlorophenyl)-2-(methylamino)-6-(thiophen-2-ylmethylidene)cyclohexan-1-one
CID 7041018
2-[[10,21-bis(thiophen-2-ylmethylidene)-5-heptacyclo[12.6.1.04,19.06,18.09,17.011,16.015,20]henicosa-1(20),2,4(19),6(18),7,9(17),11(16),12,14-nonaenylidene]methyl]thiophene
CID 102076695
(2Z)-2-(thiophen-2-ylmethylidene)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one
CID 2331366

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(thiophen-2-ylmethylidene)cyclohexylidene]methyl]thiophene?
The IUPAC name of 2-[[2-(thiophen-2-ylmethylidene)cyclohexylidene]methyl]thiophene (CID 139178721) is 2-[[2-(thiophen-2-ylmethylidene)cyclohexylidene]methyl]thiophene.
What is the SMILES notation for 2-[[2-(thiophen-2-ylmethylidene)cyclohexylidene]methyl]thiophene?
The canonical SMILES for 2-[[2-(thiophen-2-ylmethylidene)cyclohexylidene]methyl]thiophene is C(=C1CCCCC1=Cc1cccs1)c1cccs1.
What is the InChIKey of 2-[[2-(thiophen-2-ylmethylidene)cyclohexylidene]methyl]thiophene?
The InChIKey is BACKWFRYURXZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16S2/c1-2-6-14(12-16-8-4-10-18-16)13(5-1)11-15-7-3-9-17-15/h3-4,7-12H,1-2,5-6H2.
What are the key properties of 2-[[2-(thiophen-2-ylmethylidene)cyclohexylidene]methyl]thiophene?
2-[[2-(thiophen-2-ylmethylidene)cyclohexylidene]methyl]thiophene has a molecular weight of 272.44 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(thiophen-2-ylmethylidene)cyclohexylidene]methyl]thiophene is sourced from PubChem (CID 139178721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).