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702667-05-8 | 2H-Cyclopropa[e]benzothiazole(9CI)
CAS No: 702667-05-8 Catalog No: AG005W8W MDL No:
Product Description
Catalog Number:
AG005W8W
Chemical Name:
2H-Cyclopropa[e]benzothiazole(9CI)
CAS Number:
702667-05-8
Molecular Formula:
C8H5NS
Molecular Weight:
147.1970
IUPAC Name:
2H-cyclopropa[e][1,3]benzothiazole
InChI:
InChI=1S/C8H5NS/c1-2-7-8(9-4-10-7)6-3-5(1)6/h1-3H,4H2
InChI Key:
XMNKNGXPAJMGNH-UHFFFAOYSA-N
SMILES:
C1SC2=CC=C3C(=C3)C2=N1
Properties
Complexity:
331
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:
37.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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