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1803596-74-8 | lithium(1+) ion 6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxylate
CAS No: 1803596-74-8 Catalog No: AG01AM0J MDL No:MFCD28968318
Product Description
Catalog Number:
AG01AM0J
Chemical Name:
lithium(1+) ion 6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxylate
CAS Number:
1803596-74-8
Molecular Formula:
C12H16LiNO2S
Molecular Weight:
245.2669
MDL Number:
MFCD28968318
IUPAC Name:
lithium;6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxylate
InChI:
InChI=1S/C12H17NO2S.Li/c1-12(2,3)7-4-5-8-9(6-7)16-10(13-8)11(14)15;/h7H,4-6H2,1-3H3,(H,14,15);/q;+1/p-1
InChI Key:
ZTFVEGWLPHALNI-UHFFFAOYSA-M
SMILES:
[O-]C(=O)c1nc2c(s1)CC(CC2)C(C)(C)C.[Li+]
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.265g/mol
Monoisotopic Mass:
245.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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