3,4-dideuterio-2,5-bis(5-methylthiophen-2-yl)thiophene

C14H12S3 — CID 10636339

IUPAC3,4-dideuterio-2,5-bis(5-methylthiophen-2-yl)thiophene
SMILES[2H]c1c(-c2ccc(C)s2)sc(-c2ccc(C)s2)c1[2H]
InChIInChI=1S/C14H12S3/c1-9-3-5-11(15-9)13-7-8-14(17-13)12-6-4-10(2)16-12/h3-8H,1-2H3/i7D,8D
InChIKeyUCLXUPRIAJUZED-QTQOOCSTSA-N
MW278.46 g/mol
LogP5.82
Rot. Bonds2

About 3,4-dideuterio-2,5-bis(5-methylthiophen-2-yl)thiophene

3,4-dideuterio-2,5-bis(5-methylthiophen-2-yl)thiophene (PubChem CID 10636339) has the molecular formula C14H12S3 and a molecular weight of 278.46 g/mol. Its IUPAC name is 3,4-dideuterio-2,5-bis(5-methylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name3,4-dideuterio-2,5-bis(5-methylthiophen-2-yl)thiophene
PubChem CID10636339
Molecular FormulaC14H12S3
Molecular Weight278.46 g/mol
Exact Mass278.02
IUPAC Name3,4-dideuterio-2,5-bis(5-methylthiophen-2-yl)thiophene
SMILES[2H]c1c(-c2ccc(C)s2)sc(-c2ccc(C)s2)c1[2H]
InChIInChI=1S/C14H12S3/c1-9-3-5-11(15-9)13-7-8-14(17-13)12-6-4-10(2)16-12/h3-8H,1-2H3/i7D,8D
InChIKeyUCLXUPRIAJUZED-QTQOOCSTSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.46
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dideuterio-2,5-bis(5-methylthiophen-2-yl)thiophene?
The IUPAC name of 3,4-dideuterio-2,5-bis(5-methylthiophen-2-yl)thiophene (CID 10636339) is 3,4-dideuterio-2,5-bis(5-methylthiophen-2-yl)thiophene.
What is the SMILES notation for 3,4-dideuterio-2,5-bis(5-methylthiophen-2-yl)thiophene?
The canonical SMILES for 3,4-dideuterio-2,5-bis(5-methylthiophen-2-yl)thiophene is [2H]c1c(-c2ccc(C)s2)sc(-c2ccc(C)s2)c1[2H].
What is the InChIKey of 3,4-dideuterio-2,5-bis(5-methylthiophen-2-yl)thiophene?
The InChIKey is UCLXUPRIAJUZED-QTQOOCSTSA-N. The full InChI is InChI=1S/C14H12S3/c1-9-3-5-11(15-9)13-7-8-14(17-13)12-6-4-10(2)16-12/h3-8H,1-2H3/i7D,8D.
What are the key properties of 3,4-dideuterio-2,5-bis(5-methylthiophen-2-yl)thiophene?
3,4-dideuterio-2,5-bis(5-methylthiophen-2-yl)thiophene has a molecular weight of 278.46 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dideuterio-2,5-bis(5-methylthiophen-2-yl)thiophene is sourced from PubChem (CID 10636339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).