2-methyl-5-[(Z)-thiophen-1-ium-2-ylidene(thiophen-2-yl)methyl]thiophene

C14H11S3+ — CID 177491009

IUPAC2-methyl-5-[(Z)-thiophen-1-ium-2-ylidene(thiophen-2-yl)methyl]thiophene
SMILESCc1ccc(/C(=C2/C=CC=[S+]2)c2cccs2)s1
InChIInChI=1S/C14H11S3/c1-10-6-7-13(17-10)14(11-4-2-8-15-11)12-5-3-9-16-12/h2-9H,1H3/q+1
InChIKeyCQGGATUDEHJCDE-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.33
Rot. Bonds2

About 2-methyl-5-[(Z)-thiophen-1-ium-2-ylidene(thiophen-2-yl)methyl]thiophene

2-methyl-5-[(Z)-thiophen-1-ium-2-ylidene(thiophen-2-yl)methyl]thiophene (PubChem CID 177491009) has the molecular formula C14H11S3+ and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-methyl-5-[(Z)-thiophen-1-ium-2-ylidene(thiophen-2-yl)methyl]thiophene.

Molecular Properties

Compound Name2-methyl-5-[(Z)-thiophen-1-ium-2-ylidene(thiophen-2-yl)methyl]thiophene
PubChem CID177491009
Molecular FormulaC14H11S3+
Molecular Weight275.44 g/mol
Exact Mass275.00
IUPAC Name2-methyl-5-[(Z)-thiophen-1-ium-2-ylidene(thiophen-2-yl)methyl]thiophene
SMILESCc1ccc(/C(=C2/C=CC=[S+]2)c2cccs2)s1
InChIInChI=1S/C14H11S3/c1-10-6-7-13(17-10)14(11-4-2-8-15-11)12-5-3-9-16-12/h2-9H,1H3/q+1
InChIKeyCQGGATUDEHJCDE-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-methyl-5-[(Z)-thiophen-1-ium-2-ylidene(thiophen-2-yl)methyl]thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[cyclopenta-2,4-dien-1-ylidene(thiophen-2-yl)methyl]thiophene
CID 11139311
2-hydroxy-1-(5-methylthiophen-2-yl)-2-phenylethanone
CID 86026845
2-(1,2,2-trithiophen-2-ylethenyl)thiophene
CID 15249530
ethane;(2-methylphenyl)-(5-methylthiophen-2-yl)methanone
CID 142970474
2-[(E)-1,2-difluoro-2-(5-methylthiophen-2-yl)ethenyl]-5-methylthiophene
CID 10912143
2-methyl-5-thiophen-2-ylthiophene;propane
CID 142257628
(E)-3-(2-methylphenyl)-1-thiophen-2-ylprop-2-en-1-one
CID 19544633
2-oxo-N-(1-phenylethyl)-2-thiophen-2-ylacetamide
CID 82121215
2-[(Z)-[(5Z)-5-[[5-[(Z)-[(5Z)-5-[(5-methylthiophen-2-yl)-phenylmethylidene]thiophen-2-ylidene]-phenylmethyl]thiophen-2-yl]-phenylmethylidene]thiophen-2-ylidene]-phenylmethyl]-5-[(Z)-phenyl-[(5Z)-5-[phenyl-[5-[(Z)-phenyl-[(5Z)-5-[phenyl-[5-[(Z)-phenyl-[(5E)-5-(1-phenylethylidene)thiophen-2-ylidene]methyl]thiophen-2-yl]methylidene]thiophen-2-ylidene]methyl]thiophen-2-yl]methylidene]thiophen-2-ylidene]methyl]thiophene
CID 161024848
[2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 9066293
2-(1-thiophen-2-ylprop-1-enyl)thiophene
CID 154192160
2-[(E)-1,2-difluoroethenyl]-5-methylthiophene
CID 15970252

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(Z)-thiophen-1-ium-2-ylidene(thiophen-2-yl)methyl]thiophene?
The IUPAC name of 2-methyl-5-[(Z)-thiophen-1-ium-2-ylidene(thiophen-2-yl)methyl]thiophene (CID 177491009) is 2-methyl-5-[(Z)-thiophen-1-ium-2-ylidene(thiophen-2-yl)methyl]thiophene.
What is the SMILES notation for 2-methyl-5-[(Z)-thiophen-1-ium-2-ylidene(thiophen-2-yl)methyl]thiophene?
The canonical SMILES for 2-methyl-5-[(Z)-thiophen-1-ium-2-ylidene(thiophen-2-yl)methyl]thiophene is Cc1ccc(/C(=C2/C=CC=[S+]2)c2cccs2)s1.
What is the InChIKey of 2-methyl-5-[(Z)-thiophen-1-ium-2-ylidene(thiophen-2-yl)methyl]thiophene?
The InChIKey is CQGGATUDEHJCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11S3/c1-10-6-7-13(17-10)14(11-4-2-8-15-11)12-5-3-9-16-12/h2-9H,1H3/q+1.
What are the key properties of 2-methyl-5-[(Z)-thiophen-1-ium-2-ylidene(thiophen-2-yl)methyl]thiophene?
2-methyl-5-[(Z)-thiophen-1-ium-2-ylidene(thiophen-2-yl)methyl]thiophene has a molecular weight of 275.44 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(Z)-thiophen-1-ium-2-ylidene(thiophen-2-yl)methyl]thiophene is sourced from PubChem (CID 177491009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).