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123708-28-1 | Benzothiazole, 2-(oxiranylthio)- (9CI)
CAS No: 123708-28-1 Catalog No: AG00A3OT MDL No:
Product Description
Catalog Number:
AG00A3OT
Chemical Name:
Benzothiazole, 2-(oxiranylthio)- (9CI)
CAS Number:
123708-28-1
IUPAC Name:
2-(oxiran-2-ylsulfanyl)-1,3-benzothiazole
InChI:
InChI=1S/C9H7NOS2/c1-2-4-7-6(3-1)10-9(12-7)13-8-5-11-8/h1-4,8H,5H2
InChI Key:
DKVIMVUONVVHLI-UHFFFAOYSA-N
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.997g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.281g/mol
Monoisotopic Mass:
208.997g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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