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89313-68-8 | 2(3H)-Benzothiazolethione, 3-(thiiranylmethyl)-
CAS No: 89313-68-8 Catalog No: AG003ZXF MDL No:
Product Description
Catalog Number:
AG003ZXF
Chemical Name:
2(3H)-Benzothiazolethione, 3-(thiiranylmethyl)-
CAS Number:
89313-68-8
Molecular Formula:
C10H9NS3
Molecular Weight:
239.3802
IUPAC Name:
3-(thiiran-2-ylmethyl)-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C10H9NS3/c12-10-11(5-7-6-13-7)8-3-1-2-4-9(8)14-10/h1-4,7H,5-6H2
InChI Key:
UVXYBRHCULJHEP-UHFFFAOYSA-N
SMILES:
S=c1sc2c(n1CC1CS1)cccc2
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.99g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.369g/mol
Monoisotopic Mass:
238.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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