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55850-18-5 | Benzothiazole, 2-(thiiranylmethyl)- (9CI)
CAS No: 55850-18-5 Catalog No: AG00DOA0 MDL No:
Product Description
Catalog Number:
AG00DOA0
Chemical Name:
Benzothiazole, 2-(thiiranylmethyl)- (9CI)
CAS Number:
55850-18-5
IUPAC Name:
2-(thiiran-2-ylmethyl)-1,3-benzothiazole
InChI:
InChI=1S/C10H9NS2/c1-2-4-9-8(3-1)11-10(13-9)5-7-6-12-7/h1-4,7H,5-6H2
InChI Key:
UGJNMILXOCPJDT-UHFFFAOYSA-N
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.018g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.309g/mol
Monoisotopic Mass:
207.018g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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