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87904-88-9 | 2H-1,4-Thiazin-3(4H)-one, 2-amino-4-(1-methylethyl)-
CAS No: 87904-88-9 Catalog No: AG004FFI MDL No:
Product Description
Catalog Number:
AG004FFI
Chemical Name:
2H-1,4-Thiazin-3(4H)-one, 2-amino-4-(1-methylethyl)-
CAS Number:
87904-88-9
Molecular Formula:
C7H12N2OS
Molecular Weight:
172.2480
IUPAC Name:
2-amino-4-propan-2-yl-1,4-thiazin-3-one
InChI:
InChI=1S/C7H12N2OS/c1-5(2)9-3-4-11-6(8)7(9)10/h3-6H,8H2,1-2H3
InChI Key:
RFNWLCCRUAUXKF-UHFFFAOYSA-N
SMILES:
CC(N1C=CSC(C1=O)N)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.067g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.246g/mol
Monoisotopic Mass:
172.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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