2-methyl-5-[5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophen-2-yl]thiophene

C16H14S3 — CID 166512368

IUPAC2-methyl-5-[5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophen-2-yl]thiophene
SMILESC/C=C/c1ccc(-c2ccc(-c3ccc(C)s3)s2)s1
InChIInChI=1S/C16H14S3/c1-3-4-12-6-8-14(18-12)16-10-9-15(19-16)13-7-5-11(2)17-13/h3-10H,1-2H3/b4-3+
InChIKeyIISVEVUNOYHFBA-ONEGZZNKSA-N
MW302.49 g/mol
LogP6.55
Rot. Bonds3

About 2-methyl-5-[5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophen-2-yl]thiophene

2-methyl-5-[5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophen-2-yl]thiophene (PubChem CID 166512368) has the molecular formula C16H14S3 and a molecular weight of 302.49 g/mol. Its IUPAC name is 2-methyl-5-[5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-methyl-5-[5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophen-2-yl]thiophene
PubChem CID166512368
Molecular FormulaC16H14S3
Molecular Weight302.49 g/mol
Exact Mass302.03
IUPAC Name2-methyl-5-[5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophen-2-yl]thiophene
SMILESC/C=C/c1ccc(-c2ccc(-c3ccc(C)s3)s2)s1
InChIInChI=1S/C16H14S3/c1-3-4-12-6-8-14(18-12)16-10-9-15(19-16)13-7-5-11(2)17-13/h3-10H,1-2H3/b4-3+
InChIKeyIISVEVUNOYHFBA-ONEGZZNKSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.49
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophen-2-yl]thiophene?
The IUPAC name of 2-methyl-5-[5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophen-2-yl]thiophene (CID 166512368) is 2-methyl-5-[5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophen-2-yl]thiophene.
What is the SMILES notation for 2-methyl-5-[5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophen-2-yl]thiophene?
The canonical SMILES for 2-methyl-5-[5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophen-2-yl]thiophene is C/C=C/c1ccc(-c2ccc(-c3ccc(C)s3)s2)s1.
What is the InChIKey of 2-methyl-5-[5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophen-2-yl]thiophene?
The InChIKey is IISVEVUNOYHFBA-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H14S3/c1-3-4-12-6-8-14(18-12)16-10-9-15(19-16)13-7-5-11(2)17-13/h3-10H,1-2H3/b4-3+.
What are the key properties of 2-methyl-5-[5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophen-2-yl]thiophene?
2-methyl-5-[5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophen-2-yl]thiophene has a molecular weight of 302.49 g/mol, XLogP of 6.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophen-2-yl]thiophene is sourced from PubChem (CID 166512368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).