2,6-bis(5-methylthiophen-2-yl)thiopyrylium

C15H13S3+ — CID 158902065

IUPAC2,6-bis(5-methylthiophen-2-yl)thiopyrylium
SMILESCc1ccc(-c2cccc(-c3ccc(C)s3)[s+]2)s1
InChIInChI=1S/C15H13S3/c1-10-6-8-14(16-10)12-4-3-5-13(18-12)15-9-7-11(2)17-15/h3-9H,1-2H3/q+1
InChIKeyPIBRXZMJGDJAKB-UHFFFAOYSA-N
MW289.47 g/mol
LogP6.10
Rot. Bonds2

About 2,6-bis(5-methylthiophen-2-yl)thiopyrylium

2,6-bis(5-methylthiophen-2-yl)thiopyrylium (PubChem CID 158902065) has the molecular formula C15H13S3+ and a molecular weight of 289.47 g/mol. Its IUPAC name is 2,6-bis(5-methylthiophen-2-yl)thiopyrylium.

Molecular Properties

Compound Name2,6-bis(5-methylthiophen-2-yl)thiopyrylium
PubChem CID158902065
Molecular FormulaC15H13S3+
Molecular Weight289.47 g/mol
Exact Mass289.02
IUPAC Name2,6-bis(5-methylthiophen-2-yl)thiopyrylium
SMILESCc1ccc(-c2cccc(-c3ccc(C)s3)[s+]2)s1
InChIInChI=1S/C15H13S3/c1-10-6-8-14(16-10)12-4-3-5-13(18-12)15-9-7-11(2)17-15/h3-9H,1-2H3/q+1
InChIKeyPIBRXZMJGDJAKB-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.47
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene
CID 91463281
2-(4-chlorophenyl)-5-methylthiophene
CID 13356220
4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyridine
CID 23386720
2-methyl-5-[5-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]naphthalen-1-yl]thiophen-2-yl]thiophene
CID 102203513
2-methyl-5-[4-[2-[4-[2-[4-(5-methylthiophen-2-yl)phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophene
CID 76573319
2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene
CID 71014682
2-(5-methylthiophen-2-yl)aniline
CID 13413493
2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;ethane
CID 161142248
2,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazine
CID 22960139
cyclopenta-1,3-diene;ethane;2-methyl-5-phenylthiophene
CID 91361276
3-[4-(5-methylthiophen-2-yl)phenyl]pyridine
CID 130309277
4-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N-[4-[4-[4-(5-methylthiophen-2-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 59469925

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(5-methylthiophen-2-yl)thiopyrylium?
The IUPAC name of 2,6-bis(5-methylthiophen-2-yl)thiopyrylium (CID 158902065) is 2,6-bis(5-methylthiophen-2-yl)thiopyrylium.
What is the SMILES notation for 2,6-bis(5-methylthiophen-2-yl)thiopyrylium?
The canonical SMILES for 2,6-bis(5-methylthiophen-2-yl)thiopyrylium is Cc1ccc(-c2cccc(-c3ccc(C)s3)[s+]2)s1.
What is the InChIKey of 2,6-bis(5-methylthiophen-2-yl)thiopyrylium?
The InChIKey is PIBRXZMJGDJAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13S3/c1-10-6-8-14(16-10)12-4-3-5-13(18-12)15-9-7-11(2)17-15/h3-9H,1-2H3/q+1.
What are the key properties of 2,6-bis(5-methylthiophen-2-yl)thiopyrylium?
2,6-bis(5-methylthiophen-2-yl)thiopyrylium has a molecular weight of 289.47 g/mol, XLogP of 6.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(5-methylthiophen-2-yl)thiopyrylium is sourced from PubChem (CID 158902065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).