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2060040-02-8 | 5-ethoxy-2,3-dihydro-1,3-benzothiazole
CAS No: 2060040-02-8 Catalog No: AG01BQAK MDL No:MFCD30501193
Product Description
Catalog Number:
AG01BQAK
Chemical Name:
5-ethoxy-2,3-dihydro-1,3-benzothiazole
CAS Number:
2060040-02-8
Molecular Formula:
C9H11NOS
Molecular Weight:
181.2547
MDL Number:
MFCD30501193
IUPAC Name:
5-ethoxy-2,3-dihydro-1,3-benzothiazole
InChI:
InChI=1S/C9H11NOS/c1-2-11-7-3-4-9-8(5-7)10-6-12-9/h3-5,10H,2,6H2,1H3
InChI Key:
BNZSQOFKJALYHZ-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)NCS2
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.253g/mol
Monoisotopic Mass:
181.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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