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437-80-9 | 4,7-Methanobenzothiazole(8CI,9CI)
CAS No: 437-80-9 Catalog No: AG007349 MDL No:
Product Description
Catalog Number:
AG007349
Chemical Name:
4,7-Methanobenzothiazole(8CI,9CI)
CAS Number:
437-80-9
Molecular Formula:
C8H5NS
Molecular Weight:
147.1970
IUPAC Name:
3-thia-5-azatricyclo[5.2.1.02,6]deca-1,4,6,8-tetraene
InChI:
InChI=1S/C8H5NS/c1-2-6-3-5(1)7-8(6)10-4-9-7/h1-2,4H,3H2
InChI Key:
INEOEQGTXQORAO-UHFFFAOYSA-N
SMILES:
c1nc2c(s1)c1Cc2cc1
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.014g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.195g/mol
Monoisotopic Mass:
147.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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