Home Other Building Blocks 6-tert-butyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-one

6-tert-butyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-one

CAS No.:
1095051-70-9
Catalog Number:
AG01A8RJ
Molecular Formula:
C11H17NOS
Molecular Weight:
211.3238
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Product Description
Catalog Number:
AG01A8RJ
Chemical Name:
6-tert-butyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-one
CAS Number:
1095051-70-9
Molecular Formula:
C11H17NOS
Molecular Weight:
211.3238
MDL Number:
MFCD11632146
IUPAC Name:
6-tert-butyl-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C11H17NOS/c1-11(2,3)7-4-5-8-9(6-7)14-10(13)12-8/h7H,4-6H2,1-3H3,(H,12,13)
InChI Key:
HUFUSTAOUGGSMK-UHFFFAOYSA-N
SMILES:
O=c1sc2c([nH]1)CCC(C2)C(C)(C)C
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.103g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
211.323g/mol
Monoisotopic Mass:
211.103g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties