Home Aminos 7-amino-2H-benzo[b][1,4]thiazin-3(4H)-one

7-amino-2H-benzo[b][1,4]thiazin-3(4H)-one

CAS No.:
21762-79-8
Catalog Number:
AG01BS8E
Molecular Formula:
C8H8N2OS
Molecular Weight:
180.2269
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Product Description
Catalog Number:
AG01BS8E
Chemical Name:
7-amino-2H-benzo[b][1,4]thiazin-3(4H)-one
CAS Number:
21762-79-8
Molecular Formula:
C8H8N2OS
Molecular Weight:
180.2269
MDL Number:
MFCD20690934
IUPAC Name:
7-amino-4H-1,4-benzothiazin-3-one
InChI:
InChI=1S/C8H8N2OS/c9-5-1-2-6-7(3-5)12-4-8(11)10-6/h1-3H,4,9H2,(H,10,11)
InChI Key:
BWVCFRAIWIZNNF-UHFFFAOYSA-N
SMILES:
O=C1CSc2c(N1)ccc(c2)N
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.036g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
180.225g/mol
Monoisotopic Mass:
180.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties