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1512979-64-4 | 6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxylic acid
CAS No: 1512979-64-4 Catalog No: AG01AM35 MDL No:MFCD21952777
Product Description
Catalog Number:
AG01AM35
Chemical Name:
6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxylic acid
CAS Number:
1512979-64-4
Molecular Formula:
C12H17NO2S
Molecular Weight:
239.3339
MDL Number:
MFCD21952777
IUPAC Name:
6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxylic acid
InChI:
InChI=1S/C12H17NO2S/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)
InChI Key:
KTAPTNLGBNQNNY-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc2c(s1)CC(CC2)C(C)(C)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.098g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.333g/mol
Monoisotopic Mass:
239.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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