Benzo[b]thiophen-2-ylmethanol

• Catalog Number: ACM17890561
• Product Name: Benzo[b]thiophen-2-ylmethanol
• CAS: 17890-56-1
• Category: Thiophenes
• Synonyms: 2-(Hydroxymethyl)benzo[b]thiophene;1-benzothiophen-2-ylmethanol
• IUPAC Name: 1-benzothiophen-2-ylmethanol
• Molecular Weight: 164.23g/mol
• Molecular Formula: C9H8OS
• Canonical SMILES: C1=CC=C2C(=C1)C=C(S2)CO
• InChI: InChI=1S/C9H8OS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5,10H,6H2
• InChI Key: SUHKSQTXXZQEBH-UHFFFAOYSA-N
• Melting Point: 98-101°C
• Appearance: White Crystal
• Complexity: 138
• Covalently-Bonded Unit Count: 1
• Exact Mass: 164.029586g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 11
• Monoisotopic Mass: 164.029586g/mol
• Rotatable Bond Count: 1
• XLogP3: 2.1

Custom Q&A

What is the molecular formula of Benzo[b]thiophen-2-ylmethanol?

The molecular formula of Benzo[b]thiophen-2-ylmethanol is C9H8OS.

When was Benzo[b]thiophen-2-ylmethanol first created in the database?

Benzo[b]thiophen-2-ylmethanol was first created in the database on July 19, 2005.

What is the molecular weight of Benzo[b]thiophen-2-ylmethanol?

The molecular weight of Benzo[b]thiophen-2-ylmethanol is 164.23 g/mol.

What are some synonyms for Benzo[b]thiophen-2-ylmethanol?

Some synonyms for Benzo[b]thiophen-2-ylmethanol include 17890-56-1, 2-(Hydroxymethyl)benzo[b]thiophene, and benzo[b]thiophene-2-methanol.

What is the InChI key for Benzo[b]thiophen-2-ylmethanol?

The InChI key for Benzo[b]thiophen-2-ylmethanol is SUHKSQTXXZQEBH-UHFFFAOYSA-N.

How many hydrogen bond donor counts does Benzo[b]thiophen-2-ylmethanol have?

Benzo[b]thiophen-2-ylmethanol has 1 hydrogen bond donor count.

What is the topological polar surface area of Benzo[b]thiophen-2-ylmethanol?

The topological polar surface area of Benzo[b]thiophen-2-ylmethanol is 48.5 Å2.

How many rotatable bond counts does Benzo[b]thiophen-2-ylmethanol have?

Benzo[b]thiophen-2-ylmethanol has 1 rotatable bond count.

Is Benzo[b]thiophen-2-ylmethanol considered a canonicalized compound?

Yes, Benzo[b]thiophen-2-ylmethanol is considered a canonicalized compound.

What is the complexity value of Benzo[b]thiophen-2-ylmethanol?

The complexity value of Benzo[b]thiophen-2-ylmethanol is 138.