7-Cyclopropyl-1,3-benzothiazole

HCID 89554306
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Basic information

Standard SMILES
c1cc(C2CC2)c2scnc2c1
InChIKey
LMMHAFYTTDFDGX-UHFFFAOYSA-N
Molecular formula
C10H9NS
Average molar mass
175.25 g/mol
Monoisotopic mass
175.04557046

Names & identifiers

Preferred name
7-Cyclopropyl-1,3-benzothiazole
IUPAC
7-cyclopropyl-1,3-benzothiazole

Names & synonyms

SCHEMBL149323447-cyclopropyl-1,3-benzothiazoleLMMHAFYTTDFDGX-UHFFFAOYSA-N

Database identifiers

PubChem CID
89554306

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
41.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
12

Related reactions

2 records
New reaction record

Compound notes

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