5-(Bromomethyl)isothiazole

• CAS: 208837-85-8
• Catalog Number: ACM208837858
• Category: Bromine Series
• Molecular Weight: 178.050260 [g/mol]
• Molecular Formula: C₄H₄BrNS
• Synonyms: 5-(Bromomethyl)isothiazole, 208837-85-8, PubChem22267, AGN-PC-0DACVJ, SureCN7623308, Isothiazole, 5-(bromomethyl)-
• IUPAC Name: 5-(bromomethyl)-1,2-thiazole
• Canonical SMILES: C1=C(SN=C1)CBr
• InChI Key: BNSKNICKWKLOIF-UHFFFAOYSA-N
• Exact Mass: 176.92500
• H-Bond Acceptor: 2
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of 5-(Bromomethyl)isothiazole?

The molecular formula is C4H4BrNS.

What is the molecular weight of 5-(Bromomethyl)isothiazole?

The molecular weight is 178.05 g/mol.

What is the IUPAC name of 5-(Bromomethyl)isothiazole?

The IUPAC name is 5-(bromomethyl)-1,2-thiazole.

What is the InChI of 5-(Bromomethyl)isothiazole?

The InChI is InChI=1S/C4H4BrNS/c5-3-4-1-2-6-7-4/h1-2H,3H2.

What is the InChIKey of 5-(Bromomethyl)isothiazole?

The InChIKey is BNSKNICKWKLOIF-UHFFFAOYSA-N.

What is the canonical SMILES of 5-(Bromomethyl)isothiazole?

The canonical SMILES is C1=C(SN=C1)CBr.

What is the CAS number of 5-(Bromomethyl)isothiazole?

The CAS number is 208837-85-8.

How many hydrogen bond donor counts does 5-(Bromomethyl)isothiazole have?

It has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 5-(Bromomethyl)isothiazole have?

It has 2 hydrogen bond acceptor counts.

Is 5-(Bromomethyl)isothiazole a canonicalized compound?

Yes, it is a canonicalized compound.