Home Aminos tert-butyl N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]carbamate

tert-butyl N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]carbamate

CAS No.:
1038555-08-6
Catalog Number:
AG01BAV7
Molecular Formula:
C12H19N3O2S
Molecular Weight:
269.3632
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Product Description
Catalog Number:
AG01BAV7
Chemical Name:
tert-butyl N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]carbamate
CAS Number:
1038555-08-6
Molecular Formula:
C12H19N3O2S
Molecular Weight:
269.3632
MDL Number:
MFCD23162858
IUPAC Name:
tert-butyl N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]carbamate
InChI:
InChI=1S/C12H19N3O2S/c1-12(2,3)17-11(16)14-7-4-5-8-9(6-7)18-10(13)15-8/h7H,4-6H2,1-3H3,(H2,13,15)(H,14,16)/t7-/m0/s1
InChI Key:
CBTULJANIYAMDM-ZETCQYMHSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H]1CCc2c(C1)sc(n2)N
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
269.12g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
269.363g/mol
Monoisotopic Mass:
269.12g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties