Thianaphthene

• Catalog Number: ACM95158
• Product Name: Thianaphthene
• CAS: 95-15-8
• Category: Thiophenes
• IUPAC Name: 1-benzothiophene
• Molecular Weight: 134.2g/mol
• Molecular Formula: C8H6S
• Canonical SMILES: C1=CC=C2C(=C1)C=CS2
• InChI: InChI=1S/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H
• InChI Key: FCEHBMOGCRZNNI-UHFFFAOYSA-N
• Boiling Point: 221.0 °C
• Melting Point: 32.0 °C
• Flash Point: 62°C
• Density: 1.187 g/cm³ at 25 °C(lit.)
• Solubility: 9.69e-04 M
• Complexity: 101
• Covalently-Bonded Unit Count: 1
• EC Number: 202-395-7
• Exact Mass: 134.019021g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 9
• LogP: 3.12 (LogP)
• Monoisotopic Mass: 134.019021g/mol
• NSC Number: 47196
• Rotatable Bond Count: 0
• UNII: 073790YQ2G
• Vapor Pressure: 0.24 mmHg
• XLogP3: 3.1

Custom Q&A

What is the molecular formula of thianaphthene?

The molecular formula of thianaphthene is C8H6S.

What is the molecular weight of thianaphthene?

The molecular weight of thianaphthene is 134.20 g/mol.

What is the IUPAC name of thianaphthene?

The IUPAC name of thianaphthene is 1-benzothiophene.

What is the InChI of thianaphthene?

The InChI of thianaphthene is InChI=1S/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H.

What is the InChIKey of thianaphthene?

The InChIKey of thianaphthene is FCEHBMOGCRZNNI-UHFFFAOYSA-N.

What is the canonical SMILES of thianaphthene?

The canonical SMILES of thianaphthene is C1=CC=C2C(=C1)C=CS2.

What is the CAS number of thianaphthene?

The CAS number of thianaphthene is 95-15-8.

What is the XLogP3 value of thianaphthene?

The XLogP3 value of thianaphthene is 3.1.

How many hydrogen bond donor counts does thianaphthene have?

Thianaphthene has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does thianaphthene have?

Thianaphthene has 1 hydrogen bond acceptor count.