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90005-50-8 | 6-methoxy-2,3-dihydro-1,3-benzothiazole
CAS No: 90005-50-8 Catalog No: AG01BXL7 MDL No:MFCD27958461
Product Description
Catalog Number:
AG01BXL7
Chemical Name:
6-methoxy-2,3-dihydro-1,3-benzothiazole
CAS Number:
90005-50-8
Molecular Formula:
C8H9NOS
Molecular Weight:
167.2282
MDL Number:
MFCD27958461
IUPAC Name:
6-methoxy-2,3-dihydro-1,3-benzothiazole
InChI:
InChI=1S/C8H9NOS/c1-10-6-2-3-7-8(4-6)11-5-9-7/h2-4,9H,5H2,1H3
InChI Key:
VJEUREIYGDNDTN-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)SCN2
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.04g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.226g/mol
Monoisotopic Mass:
167.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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