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131785-57-4 | 2(3H)-Benzothiazolethione,6-butyl-(9CI)
CAS No: 131785-57-4 Catalog No: AG00AH3F MDL No:
Product Description
Catalog Number:
AG00AH3F
Chemical Name:
2(3H)-Benzothiazolethione,6-butyl-(9CI)
CAS Number:
131785-57-4
IUPAC Name:
6-butyl-3H-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C11H13NS2/c1-2-3-4-8-5-6-9-10(7-8)14-11(13)12-9/h5-7H,2-4H2,1H3,(H,12,13)
InChI Key:
VVSMPKIKVDRWMP-UHFFFAOYSA-N
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.352g/mol
Monoisotopic Mass:
223.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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